Tag: M.W=300-400

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Discovery of a novel class of potent and orally bioavailable sphingosine 1-phosphate receptor 1 antagonists, published in 2012-02-09, which mentions a compound: 138775-03-8, mainly applied to amide preparation sphingosine phosphate receptor antagonistic pharmacokinetics, Recommanded Product: (S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid.

A series of subtype selective sphingosine 1-phosphate receptor 1 (S1P1) antagonists are disclosed. Our high-throughput screening campaign revealed hit I for which an increase in potency and mouse oral exposure was achieved with minor modifications to the chem. scaffold. In vivo efficacy revealed that at high doses compounds II(X = F, Cl) inhibited tumor growth. Further optimization of our lead series led to the discovery of proline derivatives III(R = 1,2,3-triazol-1yl) (XL541) and III(R = 1,2,3-triazol-2yl) which had similar efficacy as our first generation analogs at significantly lower doses. Analog III(R = 1,2,3-triazol-1yl) displayed excellent pharmacokinetics and oral exposure in multiple species.

After consulting a lot of data, we found that this compound(138775-03-8)Recommanded Product: (S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: (S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid( cas:138775-03-8 ) is researched.Formula: C18H24N2O6.Ibrahim, Mohamed A.; Johnson, Henry W. B.; Jeong, Joon Won; Lewis, Gary L.; Shi, Xian; Noguchi, Robin T.; Williams, Matthew; Leahy, James W.; Nuss, John M.; Woolfrey, John; Banica, Monica; Bentzien, Frauke; Chou, Yu-Chien; Gibson, Anna; Heald, Nathan; Lamb, Peter; Mattheakis, Larry; Matthews, David; Shipway, Aaron; Wu, Xiang; Zhang, WenTao; Zhou, Sihong; Shankar, Geetha published the article 《Discovery of a novel class of potent and orally bioavailable sphingosine 1-phosphate receptor 1 antagonists》 about this compound( cas:138775-03-8 ) in Journal of Medicinal Chemistry. Keywords: amide preparation sphingosine phosphate receptor antagonistic pharmacokinetics. Let’s learn more about this compound (cas:138775-03-8).

A series of subtype selective sphingosine 1-phosphate receptor 1 (S1P1) antagonists are disclosed. Our high-throughput screening campaign revealed hit I for which an increase in potency and mouse oral exposure was achieved with minor modifications to the chem. scaffold. In vivo efficacy revealed that at high doses compounds II(X = F, Cl) inhibited tumor growth. Further optimization of our lead series led to the discovery of proline derivatives III(R = 1,2,3-triazol-1yl) (XL541) and III(R = 1,2,3-triazol-2yl) which had similar efficacy as our first generation analogs at significantly lower doses. Analog III(R = 1,2,3-triazol-1yl) displayed excellent pharmacokinetics and oral exposure in multiple species.

After consulting a lot of data, we found that this compound(138775-03-8)Formula: C18H24N2O6 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Asymmetric Synthesis of Chiral Organofluorine Compounds: Use of Nonracemic Fluoroiodoacetic Acid as a Practical Electrophile and Its Application to the Synthesis of Monofluoro Hydroxyethylene Dipeptide Isosteres within a Novel Series of HIV Protease Inhibitors, published in 2001-08-01, which mentions a compound: 138775-03-8, Name is (S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, Molecular C18H24N2O6, Formula: C18H24N2O6.

Two stereoselective routes to a series of diastereomeric inhibitors of HIV protease, monofluorinated analogs of the Merck HIV protease inhibitor indinavir, are described. The two routes feature stereoselective construction of the fluorinated core subunits by asym. alkylation reactions. The first-generation syntheses were based on the conjugate addition of the lithium enolate derived from pseudoephedrine α-fluoroacetamide to trans-nitroalkene Ph-CH2-CH:CH-NO2, a modestly diastereoselective transformation. A more practical second-generation synthetic route was developed that is based on a novel method for the asym. synthesis of organofluorine compounds, by enolate alkylation using optically active fluoroiodoacetic acid as the electrophile in combination with a chiral amide enolate. Resolution of fluoroiodoacetic acid with ephedrine provides either enantiomeric form of the electrophile in ≥96% ee. Alkylation reactions with this stable and storable chiral fluorinated precursor are shown to proceed in a highly stereospecific manner. With the development of substrate-controlled syn- or anti-selective reductions of α-fluoro ketones (I; F, CH2Ph trans and I; F, CH2Ph = cis; diastereomeric ratios 12:1-84:1), efficient and stereoselective routes to each of the four targeted inhibitors were achieved. The optimized synthetic route to the most potent inhibitor (II; Ki = 2.0 nM) proceeded in seven steps (87% average yield per step) from aminoindanol hydrocinnamide and (S)-fluoroiodoacetic acid, and allowed for the preparation of more than 1 g of this compound The inhibition of HIV-1 protease by each of the fluorinated inhibitors was evaluated in vitro, and the variation of potency as a function of inhibitor stereochem. is discussed.

After consulting a lot of data, we found that this compound(138775-03-8)Formula: C18H24N2O6 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Recueil de Medecine Veterinaire called Anticoccidial power of sulfachlorpyrazine (Esb 3) against Eimeria acervulina, Author is Yvore, P.; Peloille, Michele; Jacquemot, Catherine, which mentions a compound: 23307-72-4, SMILESS is ClC1=CN=CC([N-]S(=O)(C2=CC=C(N)C=C2)=O)=N1.[Na+], Molecular C10H8ClN4NaO2S, Name: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide.

Sulfachloropyrid-azine has the advantages of the greater efficiency and less toxicity compared with sulphaquinoxaline and sulphamethazine. With 300 mg./l. drinking water a significant anticoccidial activity in the chicken was observed and with 600 mg./l. for 5 days (administration during 3 days, no treatment during 4 days and retreatment for 2 days) no toxic effects were observed. Low doses seem to have coccidiocidal activity on 2nd schizogony. The new anticoccidial derivatives of hydroxyquinoline do not produce any immunity. Particularly E. tenella may develop again after the chemotherapy. It is possible that a complementary treatment by a sulfonamide in the drinking water during the days following the treatment may produce immunity. For this a coccidiocidal and not a coccidiostatic action should be achieved.

After consulting a lot of data, we found that this compound(23307-72-4)Name: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Recueil de Medecine Veterinaire called Anticoccidial power of sulfachlorpyrazine (Esb 3) against Eimeria acervulina, Author is Yvore, P.; Peloille, Michele; Jacquemot, Catherine, which mentions a compound: 23307-72-4, SMILESS is ClC1=CN=CC([N-]S(=O)(C2=CC=C(N)C=C2)=O)=N1.[Na+], Molecular C10H8ClN4NaO2S, Name: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide.

Sulfachloropyrid-azine has the advantages of the greater efficiency and less toxicity compared with sulphaquinoxaline and sulphamethazine. With 300 mg./l. drinking water a significant anticoccidial activity in the chicken was observed and with 600 mg./l. for 5 days (administration during 3 days, no treatment during 4 days and retreatment for 2 days) no toxic effects were observed. Low doses seem to have coccidiocidal activity on 2nd schizogony. The new anticoccidial derivatives of hydroxyquinoline do not produce any immunity. Particularly E. tenella may develop again after the chemotherapy. It is possible that a complementary treatment by a sulfonamide in the drinking water during the days following the treatment may produce immunity. For this a coccidiocidal and not a coccidiostatic action should be achieved.

After consulting a lot of data, we found that this compound(23307-72-4)Name: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Recommanded Product: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide, is researched, Molecular C10H8ClN4NaO2S, CAS is 23307-72-4, about Study of the interaction between sodium salts of (2E)-3-(4′-halophenyl)prop-2-enoyl sulfachloropyrazine and bovine serum albumin by fluorescence spectroscopy.

Three sodium salts of (2E)-3-(4′-halophenyl)prop-2-enoyl sulfachloropyrazine (CCSCP) were synthesized and their structures were determined by 1H and 13C NMR, LC-MS and IR. The binding properties between CCSCPs and bovine serum albumin (BSA) were studied using fluorescence spectroscopy in combination with UV-vis absorbance spectroscopy. The results indicate that the fluorescence quenching mechanisms between BSA and CCSCPs were static quenching at low concentrations of CCSCPs or combined quenching (static and dynamic) at higher CCSCP concentrations of 298, 303 and 308 K. The binding constants, binding sites and corresponding thermodn. parameters (ΔH, ΔS, ΔG) were calculated at different temperatures All ΔG values were neg., which revealed that the binding processes were spontaneous. Although all CCSCPs had neg. ΔH and pos. ΔS, the contributions of ΔH and ΔS to ΔG values were different. When the 4′-substituent was fluorine or chlorine, van der Waals interactions and hydrogen bonds were the main interaction forces. However, when the halogen was bromine, ionic interaction and proton transfer controlled the overall energetics. The binding distances between CCSCPs and BSA were determined using the Foerster non-radiation energy transfer theory and the effects of CCSCPs on the conformation of BSA were analyzed by synchronous fluorescence spectroscopy. Copyright © 2012 John Wiley & Sons, Ltd.

Although many compounds look similar to this compound(23307-72-4)Recommanded Product: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide, numerous studies have shown that this compound(SMILES:ClC1=CN=CC([N-]S(=O)(C2=CC=C(N)C=C2)=O)=N1.[Na+]), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity, published in 2005-04-15, which mentions a compound: 23307-72-4, mainly applied to antibacterial screening QSAR model, Recommanded Product: 23307-72-4.

The Topol. Mol. Computer Design (TOMOCOMD-CARDD) approach has been introduced for the classification and design of antimicrobial agents using computer-aided mol. design. For this propose, atom, atom-type, and total quadratic indexes have been generalized to codify chem. structure information. In this sense, stochastic quadratic indexes have been introduced for the description of the mol. structure. These stochastic fingerprints are based on a simple model for the intramol. movement of all valence-bond electrons. In this work, a complete data set containing 1006 antimicrobial agents is collected and presented. Two structure-based antibacterial activity classification models have been generated. The models (including nonstochastic and stochastic indexes) classify correctly more than 90% of 1525 compounds in training sets. These models permit the correct classification of 92.28% and 89.31% of 505 compounds in an external test sets. The approach, also, satisfactorily compares with respect to nine of the most useful models for antimicrobial selection reported to date. Finally, a virtual screening of 87 new compounds reported in the anti-infective field with antibacterial activities is developed showing the ability of the models to identify new leads as antibacterial.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: (S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid(SMILESS: O=C(N1[C@H](C(O)=O)CN(C(OCC2=CC=CC=C2)=O)CC1)OC(C)(C)C,cas:138775-03-8) is researched.COA of Formula: C3H7ClO2. The article 《Synthesis of Enantiopure Piperazines via Asymmetric Lithiation-Trapping of N-Boc Piperazines: Unexpected Role of the Electrophile and Distal N-Substituent》 in relation to this compound, is published in Journal of the American Chemical Society. Let’s take a look at the latest research on this compound (cas:138775-03-8).

A new method for the synthesis of enantiopure α-substituted piperazines via direct functionalization of the intact piperazine ring is described. The approach utilizes the asym. lithiation-substitution of an α-methylbenzyl-functionalized N-Boc piperazine using s-BuLi/(-)-sparteine or (+)-sparteine surrogate and provides access to a range of piperazines (as single stereoisomers). Optimization of the new methodol. required a detailed mechanistic study. Surprisingly, it was found that the main culprits affecting the yield and enantioselectivity were the electrophile (the last reagent to be added to the reaction flask) and the distal N-substituent. The mechanistic studies included optimization of lithiation times using in situ IR spectroscopy, identification of a ring-fragmentation of the lithiated piperazines (that could be minimized with sterically hindered N-alkyl groups), and use of a novel “”diamine switch”” strategy to improve enantioselectivity with certain electrophiles. The methodol. was showcased with the preparation of an intermediate for Indinavir synthesis and the stereoselective synthesis of 2,5-trans- and 2,6-trans-piperazines.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide, is researched, Molecular C10H8ClN4NaO2S, CAS is 23307-72-4, about Study of the interaction between sodium salts of (2E)-3-(4′-halophenyl)prop-2-enoyl sulfachloropyrazine and bovine serum albumin by fluorescence spectroscopy.Related Products of 23307-72-4.

Three sodium salts of (2E)-3-(4′-halophenyl)prop-2-enoyl sulfachloropyrazine (CCSCP) were synthesized and their structures were determined by 1H and 13C NMR, LC-MS and IR. The binding properties between CCSCPs and bovine serum albumin (BSA) were studied using fluorescence spectroscopy in combination with UV-vis absorbance spectroscopy. The results indicate that the fluorescence quenching mechanisms between BSA and CCSCPs were static quenching at low concentrations of CCSCPs or combined quenching (static and dynamic) at higher CCSCP concentrations of 298, 303 and 308 K. The binding constants, binding sites and corresponding thermodn. parameters (ΔH, ΔS, ΔG) were calculated at different temperatures All ΔG values were neg., which revealed that the binding processes were spontaneous. Although all CCSCPs had neg. ΔH and pos. ΔS, the contributions of ΔH and ΔS to ΔG values were different. When the 4′-substituent was fluorine or chlorine, van der Waals interactions and hydrogen bonds were the main interaction forces. However, when the halogen was bromine, ionic interaction and proton transfer controlled the overall energetics. The binding distances between CCSCPs and BSA were determined using the Foerster non-radiation energy transfer theory and the effects of CCSCPs on the conformation of BSA were analyzed by synchronous fluorescence spectroscopy. Copyright © 2012 John Wiley & Sons, Ltd.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Synthetic Route of C18H24N2O6. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: (S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, is researched, Molecular C18H24N2O6, CAS is 138775-03-8, about Synthesis of N,N’-Orthogonally Protected (S)-Piperazine-2-carboxylic Acid. Author is Warshawsky, Alan M.; Patel, Meena V.; Chen, Teng-Man.

(S)-1-tert-butoxycarbonyl-4-benzyloxycarbonyl-2-piperazinecarboxylic acid was prepared in 4 steps and 40% overall yield from N-tert-butoxycarbonyl-L-serine β-lactone. The sequence required only a single chromatog. purification and yielded optically pure product.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com