ChemicalBook--->CAS DataBase List--->2220184-50-7

2220184-50-7

2220184-50-7 Structure

2220184-50-7 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

(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(2220184-50-7)1HNMR
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