Basic information
- CAS
115575-11-6- Standard SMILES
Clc1cccc(C(c2ccc3nc[nH]c3c2)n2ccnc2)c1- InChIKey
UGFHIPBXIWJXNA-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4
- Average molar mass
- 308.8 g/mol
- Monoisotopic mass
- 308.0828741
Overview
Liarozole is a member of benzimidazoles.
Names & identifiers
- Preferred name
- Liarozole
- IUPAC
- 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-benzimidazole
- English name
- Liarozole
- Molecular formula
- C17H13ClN4
- Molecular weight
- 308.76
Names & synonyms
Liarozole115575-11-6LiarozolLiarozolumK0Q29TGV9YR-75251R-61405R085246R-085246DTXSID90482771H-Benzimidazole, 5-((3-chlorophenyl)-1H-imidazol-1-ylmethyl)-5-[(3-chlorophenyl)(1H-imidazol-1-yl)methyl]-1H-1,3-benzodiazole
Show more names
Liarozole, 10 mM in DMSO1H-Benzimidazole, 6-[(3-chlorophenyl)-1H-imidazol-1-ylmethyl]-Retinoic acid receptors,Mesenchymal,R 75251,RAR/RXR,CYPs,Retinoid X receptors,R-75251,Imidazole,Ovariectomized,R75251,MCF-7,Liarozole,Cytochrome P450,Inhibitor,inhibit,SCID,Hydroxylation
5-((3-chlorophenyl)(1H-imidazol-1-yl)methyl)-1H-1,3-benzodiazoleRefChem:799061DTXCID40282526-((3-chlorophenyl)(1H-imidazol-1-yl)methyl)-1H-1,3-benzodiazole6-((3-chlorophenyl)(1H-imidazol-1-yl)methyl)-1H-benzo[d]imidazoleLiazalLiarozole, (+)-Liarozole, (-)-
Database identifiers
- CAS
115575-11-6、171849-18-6、172282-43-8- PubChem CID
- 60652
- DTXSID
DTXSID9048277- ChEMBL
CHEMBL389433- ChEBI
CHEBI:135316- UNII
- 090Y06W08H、17NYD2210B、K0Q29TGV9Y
- Nikkaji
- J475.138H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Melting point
- 108.2 ° · 108.2°
- Boiling point
- 578.2 · 578.2±40.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- solubility
- DMSO: soluble
- form
- A solid
- pka
- 12.36 · 12.36±0.10(Predicted)
- color
- Off-white to light yellow
- NCI Dictionary of Cancer Terms
- liarozole
- FDA UNII
- 0 Q29TGV9Y · K0Q29TGV9Y
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the biosynthesis or actions of androgens.
Drugs used to treat or prevent skin disorders or for the routine care of skin.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)
Applications
UsesAntipsoriatic.
Suppliers22 total
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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Additional notes
DefinitionChEBI: Liarozole is a member of benzimidazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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