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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino BIO 5192 - ≥98%(HPLC) , CAS No.327613-57-0
Synonyms
(2S)-2-[[[(2S)-1-[(3,5-Dichlorophenyl)sulfonyl]-2-pyrrolidinyl]carbonyl]amino]-4-[[(2S)-4-methyl-2-[methyl[2-[4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]acetyl]amino]-1-oxopentyl]amino]butanoic acid | CNA61357 | bio5192 | BIO-5192 | (2(S)-[1-(3,5-Di
Shipped In
Ice chest + Ice pads
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinonimi
(2S)-2-[[[(2S)-1-[(3,5-Dichlorophenyl)sulfonyl]-2-pyrrolidinyl]carbonyl]amino]-4-[[(2S)-4-methyl-2-[methyl[2-[4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]acetyl]amino]-1-oxopentyl]amino]butanoic acid | CNA61357 | bio5192 | BIO-5192 | (2(S)-[1-(3,5-Di
Specifiche e purezza
≥98%(HPLC)
Meccanismi biochimici e fisiologici
Highly selective and potent inhibitor of integrinα4β1(Very Late Antigen-4; VLA-4) (Kd< 10 pM). Selectively bindsα4β1over a range of other integrins (IC50values are 1.8, 138, 1053, > 500 and > 10,000 nM forα4β1,α9β1,α2β1,α4β7andαIIbβ3, respectively). Induc
Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Nomi e identificatori Sorrisi canonici
CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N(C)C(CC(C)C)C(=O)NCCC(C(=O)O)NC(=O)C3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl
IUPAC Name
(2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-[[(2S)-4-methyl-2-[methyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]butanoic acid
InChIKey
MNQBPRHHZPXCKZ-ZDCRTTOTSA-N
INCHI
1S/C38H46Cl2N6O8S/c1-23(2)18-33(45(4)34(47)19-25-11-13-28(14-12-25)42-38(52)44-30-9-6-5-8-24(30)3)35(48)41-16-15-31(37(50)51)43-36(49)32-10-7-17-46(32)55(53,54)29-21-26(39)20-27(40)22-29/h5-6,8-9,11-14,20-23,31-33H,7,10,15-19H2,1-4H3,(H,41,48)(H,43,49)(H,50,51)(H2,42,44,52)/t31-,32-,33-/m0/s1
Isomeri SMILES
CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N(C)[C@@H](CC(C)C)C(=O)NCC[C@@H](C(=O)O)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14144073&ln=
Documentazione 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Classe Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Peptides Direct Parent Dipeptides Alternative Parents Leucine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Alpha amino acid amides Benzenesulfonamides N-phenylureas Phenylacetamides Benzenesulfonyl compounds Pyrrolidinecarboxamides Dichlorobenzenes Toluenes Aryl chlorides N-acyl amines Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Secondary carboxylic acid amides Ureas Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organochlorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Alpha-dipeptide - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Proline or derivatives - Alpha-amino acid amide - Phenylacetamide - N-phenylurea - Benzenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonyl group - 1,3-dichlorobenzene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Sulfonyl - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Urea - Carboxamide group - Organoheterocyclic compound - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organochloride - Aromatic heteromonocyclic compound Descrizione This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Struttura 3D Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Solubilità Solvent:DMSO, Max Conc. mg/mL: 81.78, Max Conc. mM: 100 Peso molecolare 817.800 g/mol XLogP3 5.300 Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 16 Exact Mass 816.247 Da Monoisotopic Mass 816.247 Da Topological Polar Surface Area 203.000 Ų Heavy Atom Count 55 Formal Charge 0 Complexity 1430.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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