BMS-751324 , CAS No.948842-66-8

CAS: 948842-66-8 Cat. No.: B1424260 PubChem CID: 44540113

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

BMS-751324 is a p38α MAPK inhibitor. BMS-751324 equips a precursor of carbamyl-methyl linkage, containing esters and phosphate functional groups derived from hydroxyphenylacetic acid (HPA). BMS-751324 effectively inhibits foot swelling and LPS-induced TNFα production in an arthritic rat model.

Specifications

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

이름과 식별자

• 정식 스마일: CCCN(C(=O)C1=CN2C(=C1C)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)NC4CC4)C)C(=O)OCOC(=O)CC5=CC=C(C=C5)OP(=O)(O)O
• IUPAC Name: [[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]-propylcarbamoyl]oxymethyl 2-(4-phosphonooxyphenyl)acetate
• InChIKey: XAYQDTPEOFCYIG-UHFFFAOYSA-N
• INCHI: 1S/C32H35N6O10P/c1-4-13-37(32(42)47-18-46-27(39)14-21-6-11-24(12-7-21)48-49(43,44)45)31(41)25-16-38-28(20(25)3)29(33-17-34-38)36-26-15-22(8-5-19(26)2)30(40)35-23-9-10-23/h5-8,11-12,15-17,23H,4,9-10,13-14,18H2,1-3H3,(H,35,40)(H,33,34,36)(H2,43,44,45)
• 이성체 SMILES: CCCN(C(=O)C1=CN2C(=C1C)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)NC4CC4)C)C(=O)OCOC(=O)CC5=CC=C(C=C5)OP(=O)(O)O
• 대체 CAS: 948842-66-8
• PubChem CID: 44540113
• MeSH 용어: ((4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methylpyrrolo(1,2-f)(1,2,4)triazine-6-carbonyl)(propyl)carbamoyloxy)methyl-2-(4-(phosphonooxy)phenyl)acetate;BMS-751324

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphomonoesters
            • Level7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates - Aryl phosphomonoesters
• Direct Parent: Phenyl phosphates
• Alternative Parents: Aminobenzoic acids and derivatives p-Toluamides Benzamides Pyrrolo[2,1-f][1,2,4]triazines Aniline and substituted anilines Benzoyl derivatives Phenoxy compounds Pyrrole carboxamides Imidolactams Substituted pyrroles 1,2,4-triazines Heteroaromatic compounds Carbamate esters Vinylogous amides Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Acetals Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl phosphate - Aminobenzoic acid or derivatives - Pyrrolotriazine - Benzamide - Toluamide - Pyrrolo[2,1-f][1,2,4]triazine - Benzoic acid or derivatives - P-toluamide - Phenoxy compound - Aniline or substituted anilines - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxamide - Benzoyl - Toluene - Triazine - 1,2,4-triazine - Benzenoid - Imidolactam - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Vinylogous amide - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
• 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.

DOI: 10.1186/s13321-016-0174-y