Liarozole hydrochloride
Basic information
- CAS
145858-50-0- Standard SMILES
Cl.Clc1cccc(C(c2ccc3nc[nH]c3c2)n2ccnc2)c1- InChIKey
OTSZCHORPMQCBZ-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2N4
- Average molar mass
- 345.2 g/mol
- Monoisotopic mass
- 344.0595519
Overview
Liarozole Hydrochloride is the fumarate salt of an orally-active benzimidazole derivative with potential antineoplastic activity. As a retinoic acid metabolism blocking agent (RAMBA), liarozole inhibits cytochrome P450-dependent all-trans-retinoic acid (ATRA)-4-hydroxylase, resulting in an increase in endogenous ATRA production, inhibition of cell proliferation, and induction of cell differentiation. This agent also inhibits aromatase, the enzyme that catalyzes the final, rate-limiting step in estrogen biosynthesis.
Names & identifiers
- Preferred name
- Liarozole hydrochloride
- IUPAC
- 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-benzimidazole;hydrochloride
- English name
- 5-[(3-Chlorophenyl)-1H-imidazol-1-ylmethyl]-1H-benzimidazole hydrochloride
- Molecular formula
- C17H14Cl2N4
- Molecular weight
- 0
Names & synonyms
Liarozole hydrochloride145858-50-0Liarozole HClLiarozole (hydrochloride)Liarozole hydrochloride [USAN]DTXSID9046817R 75251R75251 (hydrochloride)29T7S2IB97Liarozole hydrochloride (USAN)DTXCID70268171H-Benzimidazole, 6-[(3-chlorophenyl)-1H-imidazol-1-ylmethyl]-, hydrochloride (1:1)
Show more names
R75251R-75251Liarozole dihydrochl5-[(3-Chlorophenyl)-1H-imidazol-1-ylmethyl]-1H-benzimidazole hydrochloride
6-((3-Chlorophenyl)(1H-imidazol-1-yl)methyl)-1H-benzo[d]imidazole hydrochlorideCAS-145858-50-0NCGC00181034-01UNII-29T7S2IB97SCHEMBL3643orb1702016CHEMBL2105015SCHEMBL29567988
Database identifiers
- CAS
145858-50-0- PubChem CID
- 71454
- DTXSID
DTXSID9046817- ChEMBL
CHEMBL2105015
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- storage temp.
- 4 °C · Store at +4°C
- FDA UNII
- 29 T7S2IB97 · 29T7S2IB97
Chemistry & industry
Applications
UsesAntineoplastic.
UsesLiarozole Hydrochloride is a Imidazole-containing compound that inhibits the cytochrome P450-dependent metabolism.
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Compound notes
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