Introduction：Basic information about CAS 183500-36-9|4-(5-HYDROXYMETHYLIMIDAZOL-1-YLMETHYL)BENZONITRILE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-(5-HYDROXYMETHYLIMIDAZOL-1-YLMETHYL)BENZONITRILE |
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| CAS Number | 183500-36-9 | Molecular Weight | 213.23500 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C12H11N3O | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 4-[[5-(hydroxymethyl)imidazol-1-yl]methyl]benzonitrile |
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BiologicalActivity
| Description | CYP19A1/CYP11B2-IN-1 (Compound X21) is a potent and selective aromatase and aldosterone synthase dual inhibitor with IC50s of 2.3 nM and 29 nM for aromatase (CYP19A1) and aldosterone synthase (CYP11B2), respectively. CYP19A1/CYP11B2-IN-1 has excellent antiproliferative and pro-apoptotic activity against the cancer cell. CYP19A1/CYP11B2-IN-1 can be used for research of breast cancer[1]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450 |
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| References | [1]. Tinivella A, et al. Discovery of a Potent Dual Inhibitor of Aromatase and Aldosterone Synthase. ACS Pharmacology & Translational Science. 2023 Nov 23. |
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Chemical & Physical Properties
| Molecular Formula | C12H11N3O |
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| Molecular Weight | 213.23500 |
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| Exact Mass | 213.09000 |
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| PSA | 61.84000 |
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| LogP | 1.29538 |
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| InChIKey | ACFSBQWDVYWNRT-UHFFFAOYSA-N |
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| SMILES | N#Cc1ccc(Cn2cncc2CO)cc1 |
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