| Identification | Back Directory | [Name]
(S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol | [CAS]
2220184-50-7 | [Synonyms]
CMPD 7
CDK12-IN-3
CDK12 inhibitor 3
2-Piperidineethanol, 1-[6-[[(6,7-difluoro-1H-benzimidazol-2-yl)methyl]amino]-9-(1-methylethyl)-9H-purin-2-yl]-, (2S)-
(S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol | [Molecular Formula]
C23H28F2N8O | [MDL Number]
MFCD31657428 | [MOL File]
2220184-50-7.mol | [Molecular Weight]
470.52 |
| Chemical Properties | Back Directory | [Boiling point ]
772.7±70.0 °C(Predicted) | [density ]
1.51±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 250 mg/mL (531.33 mM) | [form ]
Solid | [pka]
8.79±0.30(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
CDK12-IN-3 is a potent and selective CDK12 inhibitor with an IC50 of 491 nM in enzymatic assay. | [IC 50]
CDK12: 491 nM (IC50) | [storage]
Store at -20°C | [References]
[1] Johannes JW, et al. Structure-Based Design of Selective Noncovalent CDK12 Inhibitors. ChemMedChem. 2018 Feb 6;13(3):231-235. DOI:10.1002/cmdc.201700695 |
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