CAS 1256245-85-8

3-[[(8α,9S)-6′-Methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione

Description:

The chemical substance known as "3-[[(8α,9S)-6′-Methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione" with the CAS number 1256245-85-8 is characterized by its complex molecular structure, which includes a cinchonan backbone, a methoxy group, and a cyclobutene-1,2-dione moiety. This compound features multiple functional groups, including amino and trifluoromethyl groups, which contribute to its potential biological activity and chemical reactivity. The presence of the trifluoromethyl group enhances lipophilicity and may influence the compound's pharmacokinetic properties. The stereochemistry indicated by the (8α,9S) configuration suggests specific spatial arrangements that could affect the compound's interactions with biological targets. Overall, this substance may exhibit unique properties that make it of interest in medicinal chemistry, particularly in the development of novel therapeutic agents. Further studies would be necessary to elucidate its specific biological activities and potential applications.

Formula: C₃₁H₂₉F₃N₄O₃

InChI: InChI=1S/C31H29F3N4O3/c1-3-17-16-38-13-11-18(17)14-25(38)26(22-10-12-35-24-9-8-21(41-2)15-23(22)24)37-28-27(29(39)30(28)40)36-20-6-4-19(5-7-20)31(32,33)34/h3-10,12,15,17-18,25-26,36-37H,1,11,13-14,16H2,2H3/t17-,18-,25-,26-/m0/s1

InChI key: InChIKey=CXSJHIJBMDWYPB-JZWJADFXSA-N

SMILES: [C@@H](NC1=C(NC2=CC=C(C(F)(F)F)C=C2)C(=O)C1=O)([C@]3([N@@]4C[C@H](C=C)[C@](C3)(CC4)[H])[H])C=5C6=C(C=CC(OC)=C6)N=CC5

Synonyms:

• 3-Cyclobutene-1,2-dione, 3-[[(8α,9S)-6′-methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-
• 3-[[(8α,9S)-6′-Methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione
• 3-[[(8α,9S)-6′-Methoxycinchonan-9-yl]aMino]-4-[[4-(trifluoroMethyl)phenyl]aMino]-3-Cyclobutene-1,2-dione

3-Cyclobutene-1,2-dione, 3-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-

CAS: 1256245-85-8

Formula: C₃₁H₂₉F₃N₄O₃

Molecular weight: 562.5822

Ref: IN-DA000NYJ

3-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione

CAS: 1256245-85-8

3-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione

Purity: 98%

Molecular weight: 562.59g/mol

Ref: 54-PC1005867