AM095 - ≥98% , CAS No.1345614-59-6

CAS: 1345614-59-6 Cat. No.: A126537 Formule: C₂₇H₂₃N₂NaO₅ Poids moléculaire: 478.47 PubChem CID: 53303875

GRADE & PURITY ≥98%

Synonyms

AM095, >=98% (HPLC) | BCP16047 | 1345614-59-6 | AM095 | AM-095 | EX-A1954 | AM095 sodium | AM-095 Sodium | Sodium {4'-[3-methyl-4-({[(1R)-1-phenylethoxy]carbonyl}amino)-1,2-oxazol-5-yl][1,1'-biphenyl]-4-yl}acetate | HY-16039 | DTXSID70693387 | AC-35293 |

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

AM095 est un antagoniste puissant du récepteur LPA1 avec des valeurs IC50 de 0,98 et 0,73 μM pour le LPA1 humain ou murin recombinant respectivement.

Specifications

Synonymes

AM095, >=98% (HPLC) | BCP16047 | 1345614-59-6 | AM095 | AM-095 | EX-A1954 | AM095 sodium | AM-095 Sodium | Sodium {4'-[3-methyl-4-({[(1R)-1-phenylethoxy]carbonyl}amino)-1,2-oxazol-5-yl][1,1'-biphenyl]-4-yl}acetate | HY-16039 | DTXSID70693387 | AC-35293 |

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

AM095 est un antagoniste du récepteur LPA ? qui présente une bonne exposition orale et une activité antifibrotique dans des modèles de rongeurs. In vitro, l'AM095 a inhibé la liaison du GTPγS aux membranes de cellules ovariennes de hamste

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Type d'action

ANTAGONIST

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528763083
• Sourires canoniques: CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)[O-].[Na+]
• IUPAC Name: sodium;2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetate
• InChIKey: BDKDADFSIDCQGB-GMUIIQOCSA-M
• INCHI: 1S/C27H24N2O5.Na/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31;/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31);/q;+1/p-1/t18-;/m1./s1
• Isomères SMILES: CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)[O-].[Na+]
• PubChem CID: 53303875
• Poids moléculaire: 478.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzyloxycarbonyls Carbamate esters Heteroaromatic compounds Isoxazoles Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic sodium salts
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Benzyloxycarbonyl - Azole - Isoxazole - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Organic salt - Carbonyl group - Organic sodium salt - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: DMSO
• Poids moléculaire: 478.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 478.15 Da
• Monoisotopic Mass: 478.15 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 672.000
• 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: 2

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