Jnj-54175446

HCID 90409366

기본 정보

CAS: 1627902-21-9
표준 SMILES: C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIKey: CWFVVQFVGMFTBD-SECBINFHSA-N
분자식: C18H13ClF4N6O
평균 분자량: 440.8 g/mol
단동위원소 질량: 440.0775496

개요

JNJ-54175446 is under investigation in clinical trial NCT02933762 (A Study in Healthy Participants to Evaluate the Effect of JNJ-54175446 on Amyloid Biomarkers and Cytokine Profiles in Cerebrospinal Fluid and Plasma).

이름 및 식별자

우선 이름: Jnj-54175446
IUPAC: [2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
영어명: (r)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-1,4,6,7-tetrahydro-5h-[1,2,3]triazolo[4,5-c]pyridin-5-yl)methanone
분자식: C18H13ClF4N6O
분자량: 440.78

이름 및 동의어

JNJ-541754461627902-21-932524GLF40Methanone, (2-chloro-3-(trifluoromethyl)phenyl)((4R)-1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-4-methyl-5H-1,2,3-triazolo(4,5-C)pyridin-5-yl)-Methanone, (2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-4-methyl-5H-1,2,3-triazolo(4,5-c)pyridin-5-yl)-RefChem:1505532-((4R)-5-(2-chloro-3-(trifluoromethyl)benzoyl)-4-methyl-1H,4H,5H,6H,7H-(1,2,3)triazolo(4,5-c)pyridin-1-yl)-5-fluoropyrimidine(r)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-1,4,6,7-tetrahydro-5h-[1,2,3]triazolo[4,5-c]pyridin-5-yl)methanoneMFCD31556312(R)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5(4H)-yl)methanone[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanoneA1L0I

이름 더 보기

JNJ-5446JNJ 54175446,JNJ54175446Methanone, [2-chloro-3-(trifluoromethyl)phenyl][(4R)-1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-4-methyl-5H-1,2,3-triazolo[4,5-c]pyridin-5-yl]-

C18H13ClF4N6Oorb1707157CHEMBL4079239SCHEMBL16036477SCHEMBL30900468SCHEMBL31347774UNII-32524GLF40TQR1090

데이터베이스 식별자

CAS: 1627902-21-9
PubChem CID: 90409366
DTXSID: DTXSID201358973
ChEMBL: CHEMBL4079239
UNII: 32524GLF40
Nikkaji: J3.655.327H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 76.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 2
무거운 원자 수: 30
형식 전하: 0
복잡도: 634

물리화학적 성질

끓는 점: 635.6 · 635.6±65.0 °C(Predicted)
밀도: 1.62 · 1.62±0.1 g/cm3(Predicted)
용해도: 62.5 · DMSO:62.5(Max Conc. mg/mL);141.79(Max Conc. mM)
산도 계수 (pKa): -1.93 · -1.93±0.40(Predicted)
물리적 상태: Solid
색상: Light yellow to yellow

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사19 곳

Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]

上海海皋科技有限公司021-57646680 18306277365 · [email protected]

Aladdin Scientific[email protected]

United Life Science020-82099279 18988941402 · [email protected]

銳迪國際科技有限公司18024082417 · [email protected]

화합물 노트

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