Jnj-54175446

HCID 90409366

基本情報

CAS: 1627902-21-9
標準SMILES: C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIKey: CWFVVQFVGMFTBD-SECBINFHSA-N
分子式: C18H13ClF4N6O
平均分子量: 440.8 g/mol
単同位体質量: 440.0775496

概要

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).

名称と識別子

優先名称: 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
英語名: (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
分子式: C18H13ClF4N6O
分子量: 440.78

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 3
極性表面積: 76.8 Å²
水素結合供与体数: 0
水素結合受容体数: 9
回転可能結合数: 2
重原子数: 30
形式電荷: 0
複雑度: 634

物理化学的性質

沸点: 635.6 · 635.6±65.0 °C(Predicted)
比重(密度): 1.62 · 1.62±0.1 g/cm3(Predicted)
溶解性: 62.5 · DMSO:62.5(Max Conc. mg/mL);141.79(Max Conc. mM)
酸解離定数(Pka): -1.93 · -1.93±0.40(Predicted)
外見: Solid
色: Light yellow to yellow

安全と法規制

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

サプライヤー19 社

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]

化合物ノート

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