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· · COA & SDS available for every product · Same-day shipping on in-stock items Firategrast - Moligand™ , Integrin alpha-4/beta-7 antagonist, CAS No.402567-16-2, Integrin alpha-4/beta-7 antagonist
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. Synonyms
SCHEMBL918399 | HY-14951 | AC-30127 | Firategrast [USAN] | (1,1'-Biphenyl)-4-propanoic acid, alpha-((2,6-difluorobenzoyl)amino)-4'-(ethoxymethyl)- 2',6'-dimethoxy-, (alphaS)- | (1,1'-Biphenyl)-4-propanoic acid, alpha-((2,6-difluorobenzoyl)amino)-4'(ethoxy
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™ 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
SCHEMBL918399 | HY-14951 | AC-30127 | Firategrast [USAN] | (1, 1'-Biphenyl)-4-propanoic acid, alpha-((2, 6-difluorobenzoyl)amino)-4'-(ethoxymethyl)- 2', 6'-dimethoxy-, (alphaS)- | (1, 1'-Biphenyl)-4-propanoic acid, alpha-((2, 6-difluorobenzoyl)amino)-4'(ethoxy
Specifications & Purity
Moligand™
Biochemical and Physiological Mechanisms
Description:
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST, INHIBITOR
Mechanism of action
Integrin alpha-4/beta-7 antagonist
Product Properties Names and Identifiers Canonical Smiles CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC IUPAC Name (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid InChIKey YLFZHHDVRSYTKT-NRFANRHFSA-N INCHI 1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1 Isomeric SMILES CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC Molecular Weight 499.5 Reaxy-Rn 49615903 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49615903&ln=
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 Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Phenylalanine and derivatives Alternative Parents N-acyl-alpha amino acids Hippuric acids Biphenyls and derivatives Phenylpropanoic acids 2-halobenzoic acids and derivatives Amphetamines and derivatives Dimethoxybenzenes Benzylethers Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Dialkyl ethers Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylalanine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Biphenyl - 3-phenylpropanoic-acid - Amphetamine or derivatives - M-dimethoxybenzene - Dimethoxybenzene - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzylether - Methoxybenzene - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Dialkyl ether - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 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 25°C: DMSO Molecular Weight 499.500 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 11 Exact Mass 499.181 Da Monoisotopic Mass 499.181 Da Topological Polar Surface Area 94.100 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 680.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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