N-(3-fluorophenyl)-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-3-amine

• ChemBase编号: 153917
• 分子式: C18H16FN3O2
• 平均质量: 325.3369432
• 单一同位素质量: 325.12265499
• SMILES: COc1cc2c(cc1OC)c1c(c(n[nH]1)Nc1cccc(c1)F)C2
• Canonical SMILES: COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F
• InChI: InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
• InChIKey: ZDNURMVOKAERHZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-fluorophenyl)-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-3-amine
• IUPAC传统名: N-(3-fluorophenyl)-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-3-amine
• 别名: 3-Fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine; N-(3-fluorophenyl)-2,4-dihydro-6,7-dimethoxy-Indeno[1,2-c]pyrazol-3-amine; RWJ 540973; JNJ-10198409

登记号

• CAS号: 627518-40-5
• PubChem SID: 162248056
• PubChem CID: 9797370

理论计算性质

• Acid pKa: 7.665384
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.820177
• LogD (pH = 7.4): 3.6362522
• Log P: 3.824947
• 摩尔折射率: 90.3808 cm^3
• 极化性: 34.514263 Å^3
• 极化表面积: 59.17 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: >10 mg/mL; H2O: <2 mg/mL
• 外观: off-white solid

安全信息

• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C18H16FN3O2

详细说明

Sigma Aldrich - J4649

Biochem/physiol Actions
JNJ-10198409 is a potent ATP-competitive inhibitor of Platelet-Derived Growth Factor receptor tyrosine kinase (PDGF-RTK) with both antiangiogenic and a direct tumor cell antiproliferative activity. It is selective for PDGF-β kinase with IC50 values of 4.2 nM for PDGF-β and 45 nM for PDGF-α kinase.