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· · COA & SDS available for every product · Same-day shipping on in-stock items BIO 1211 - Moligand™, ≥98% , Inhibitor of integrin α4β1, CAS No.187735-94-0, Inhibitor of integrin α4β1
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
AKOS024457866 | SCHEMBL1223367 | BDBM50074661 | MS-31193 | Q27075284 | (S)-1-{(S)-2-[3-Carboxy-2-((1S,5S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid | L-PROLINE,
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ 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 Synonyms
AKOS024457866 | SCHEMBL1223367 | BDBM50074661 | MS-31193 | Q27075284 | (S)-1-{(S)-2-[3-Carboxy-2-((1S, 5S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid | L-PROLINE,
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Selective, high affinityα4β1(Very Late Antigen 4; VLA-4) inhibitor; displays 200-fold selectivity for the activated form ofα4β1(KD= 70 pM; IC50= 0.004μM). Selective forα4β1over a range of other integrins (IC50>100μM forα1β1, α5β1andα6β1).
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Inhibitor of integrin α4β1
Names and Identifiers Pubchem Sid 504765159 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504765159 Canonical Smiles CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)O IUPAC Name (2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid InChIKey NVVGCQABIHSJSQ-KFZSMJGVSA-N INCHI 1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1 Isomeric SMILES CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)O PubChem CID 9961766 Molecular Weight 708.8
Documentation 📋 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 Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Peptides Direct Parent Oligopeptides Alternative Parents Aspartic acid and derivatives Leucine and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Alpha amino acid amides N-phenylureas Phenylacetamides N-acylpyrrolidines Pyrrolidine carboxylic acids Toluenes N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Ureas Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Alpha-oligopeptide - Aspartic acid or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Proline or derivatives - Valine or derivatives - Alpha-amino acid amide - Phenylacetamide - N-substituted-alpha-amino acid - N-phenylurea - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - N-acylpyrrolidine - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty amide - Benzenoid - N-acyl-amine - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Urea - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble to 2 (mg/mL) in water Sensitivity Moisture sensitive Molecular Weight 708.800 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 16 Exact Mass 708.348 Da Monoisotopic Mass 708.348 Da Topological Polar Surface Area 223.000 Ų Heavy Atom Count 51 Formal Charge 0 Complexity 1250.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 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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