ChemicalBook--->CAS DataBase List--->189689-94-9

189689-94-9

189689-94-9 Structure

189689-94-9 Structure
IdentificationBack Directory
[Name]

ABT 491
[CAS]

189689-94-9
[Synonyms]

ABT 491
PAF Receptor Antagonist, ABT-491
ABT-491 hydrochloride >=98% (HPLC)
PAF Receptor Antagonist, ABT-491 - CAS 189689-94-9 - Calbiochem
A-137491, 4-Ethynyl-N,N-dimethyl-3-[3-fluoro-4-[(2-methyl-1H-imidazo-[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-1-carboxamide hydrochloride
[Molecular Formula]

C28H22FN5O2.ClH
[MDL Number]

MFCD00945301
[MOL File]

189689-94-9.mol
[Molecular Weight]

515.974
Chemical PropertiesBack Directory
[Melting point ]

170-178 °C(lit.)
[storage temp. ]

2-8°C
[solubility ]

H2O: 22 mg/mL, freely soluble
[form ]

Off-white solid
[color ]

white
[Water Solubility ]

water: 10mg/mL
[InChI]

1S/C28H22FN5O2.ClH/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33;/h1,6-14,16H,15H2,2-4H3;1H
[InChIKey]

AWRGBOKANQBIBM-UHFFFAOYSA-N
[SMILES]

Cl[H].CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c5c(cccc15)C#C
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Biochem/physiol Actions]

Highly potent, selective and orally active platelet-activating factor (PAF) receptor antagonist. Ki = 0.6 nM in human platelets.
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