7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine-2,4-diamine (HCID 58075317)

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CCC2c1ccc(F)cc1
InChIKey: NDVMOVOEROCRIO-UHFFFAOYSA-N
분자식: C24H24FN7O
평균 분자량: 445.5 g/mol

개요

a gamma-secretase modulator; structure in first source

이름 및 식별자

우선 이름: 7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine-2,4-diamine
IUPAC: 7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

이름 및 동의어

7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine-2,4-diamineRefChem:914211SCHEMBL513093NDVMOVOEROCRIO-UHFFFAOYSA-N1263865-62-8

데이터베이스 식별자

PubChem CID: 58075317

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 89.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 6
무거운 원자 수: 33
형식 전하: 0
복잡도: 636

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Agents that suppress GAMMA-SECRETASE by inhibiting or modulating its activities. Targeted enzymatic activities include its involvement in accumulation of toxic AMYLOID BETA-PEPTIDES (e.g., Aβ42) in ALZHEIMER DISEASE and activation of NOTCH RECEPTOR mediated SIGNAL PATHWAYS in certain cancer types.

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