CAS 1431697-96-9

3-Pyrrolidinemethanol, 4-[[2-(5-fluoro-2-hydroxyphenyl)-6,7-dimethoxy-4-quinazolinyl]amino]-α,α-dimethyl-, hydrochloride (1:1), (3R,4S)-rel-

Description:

3-Pyrrolidinemethanol, 4-[[2-(5-fluoro-2-hydroxyphenyl)-6,7-dimethoxy-4-quinazolinyl]amino]-α,α-dimethyl-, hydrochloride (1:1), (3R,4S)-rel- is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a pyrrolidine ring, which contributes to its cyclic structure, and a quinazoline moiety that is known for its biological activity. The presence of a fluorine atom and hydroxyl group on the phenyl ring enhances its pharmacological properties, potentially influencing its interaction with biological targets. The dimethoxy groups on the quinazoline structure may also play a role in modulating its solubility and reactivity. As a hydrochloride salt, it is likely to be more soluble in water, which is advantageous for pharmaceutical applications. The compound's stereochemistry, indicated by the (3R,4S)- designation, suggests specific spatial arrangements that can significantly affect its biological activity and interaction with receptors. Overall, this compound is of interest in medicinal chemistry, particularly for its potential therapeutic applications.

Formula: C₂₃H₂₇FN₄O₄·ClH

InChI: InChI=1/C23H27FN4O4.ClH/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29;/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28);1H/t15-,17-;/s2

InChI key: InChIKey=LAKJUTZIXHTMPC-CWPNTIAONA-N

SMILES: N(C=1C2=C(N=C(N1)C3=C(O)C=CC(F)=C3)C=C(OC)C(OC)=C2)[C@H]4[C@H]([C@@](C)(C)O)CNC4.Cl

Synonyms:

• 3-Pyrrolidinemethanol, 4-[[2-(5-fluoro-2-hydroxyphenyl)-6,7-dimethoxy-4-quinazolinyl]amino]-α,α-dimethyl-, hydrochloride (1:1), (3R,4S)-rel-

CCT241533 hydrochloride

CAS: 1431697-96-9

CCT241533 hydrochloride

Purity: ≥95%

Molecular weight: 478.95g/mol

Ref: 54-BUP07017

CCT 241533 hydrochloride

CAS: 1431697-96-9

Potent and specific inhibitor of checkpoint kinase CHK2 with IC50 of 3 nM. CCT 241533 binds to the ATP pocket of CHK2 and shows minimal cross-reactivity against related kinases. CCT 241533 blocked the activity of CHK2 and impaired DNA repair in response to DNA damage in human tumoral cell lines. The compound did not potentiate genotoxicity of several genotoxic compounds but it did potentiate the cytotoxicity of a PARP inhibitor olaparib.

Formula: C₂₃H₂₇FN₄O₄•HCl

Purity: Min. 95%

Molecular weight: 478.94 g/mol

Ref: 3D-FC104262

CCT241533 hydrochloride

CAS: 1431697-96-9

CCT241533 hydrochloride is an effective and selective ATP competitive inhibitor of CHK2 (Ki: 1.16 nM; IC50: 3 nM).

Formula: C₂₃H₂₈ClFN₄O₄

Purity: 97.13%

Color and Shape: Solid

Molecular weight: 478.95

Ref: TM-T10718L