CAS 509145-82-8

N2-[cis-4-[[2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl]amino]cyclohexyl]-N4,N4-dimethyl-2,4-quinazolinediamine

Description:

N2-[cis-4-[[2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl]amino]cyclohexyl]-N4,N4-dimethyl-2,4-quinazolinediamine, with CAS number 509145-82-8, is a synthetic organic compound characterized by its complex molecular structure, which includes a quinazoline core, a cyclohexyl group, and a bromo-substituted phenyl moiety. This compound exhibits properties typical of small-molecule pharmaceuticals, potentially acting as a kinase inhibitor or in other therapeutic roles. Its trifluoromethoxy group enhances lipophilicity, which may influence its bioavailability and interaction with biological targets. The presence of multiple functional groups suggests that it may engage in various chemical interactions, including hydrogen bonding and π-π stacking, which are crucial for its biological activity. Additionally, the compound's stereochemistry, particularly the cis configuration, may play a significant role in its pharmacodynamics and pharmacokinetics. Overall, this compound represents a class of targeted therapies that are being explored for their potential in treating various diseases, including cancer.

Formula: C₂₅H₂₉BrF₃N₅O

InChI: InChI=1/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+

InChI key: InChIKey=FWKVXHBRMCTKHZ-KDURUIRLNA-N

SMILES: N(C)(C)C=1C2=C(N=C(N[C@H]3CC[C@@H](NCCC4=C(OC(F)(F)F)C=C(Br)C=C4)CC3)N1)C=CC=C2

Synonyms:

• N2-[cis-4-[[2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl]amino]cyclohexyl]-N4,N4-dimethyl-2,4-quinazolinediamine
• 2,4-Quinazolinediamine, N2-[cis-4-[[2-[4-bromo-2-(trifluoromethoxy)phenyl]ethyl]amino]cyclohexyl]-N4,N4-dimethyl-

ATC0065

CAS: 509145-82-8

ATC0065 is a melanin-concentrating hormone receptor 1 antagonist with oral activity.

Formula: C₂₅H₂₉BrF₃N₅O

Color and Shape: Solid

Molecular weight: 552.43

Ref: TM-T26676