13-(hydroxymethyl)-9-methyl-2-octyl-10-(propan-2-yl)-3,9,12-triazatricyclo[6.6.1.0^{4,15}]pentadeca-1,4,6,8(15)-tetraen-11-one

• ChemBase编号: 105169
• 分子式: C25H39N3O2
• 平均质量: 413.59606
• 单一同位素质量: 413.3042275
• SMILES: CCCCCCCCc1c2CC(CO)NC(=O)C(C(C)C)N(C)c3c2c([nH]1)ccc3
• Canonical SMILES: CCCCCCCCc1[nH]c2c3c1CC(CO)NC(=O)C(N(c3ccc2)C)C(C)C
• InChI: InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-12-20-19-15-18(16-29)26-25(30)24(17(2)3)28(4)22-14-11-13-21(27-20)23(19)22/h11,13-14,17-18,24,27,29H,5-10,12,15-16H2,1-4H3,(H,26,30)
• InChIKey: VLJISOQUPIAQHH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 13-(hydroxymethyl)-9-methyl-2-octyl-10-(propan-2-yl)-3,9,12-triazatricyclo[6.6.1.0^{4,15}]pentadeca-1,4,6,8(15)-tetraen-11-one
• IUPAC传统名: 13-(hydroxymethyl)-10-isopropyl-9-methyl-2-octyl-3,9,12-triazatricyclo[6.6.1.0^{4,15}]pentadeca-1,4,6,8(15)-tetraen-11-one
• 别名: (-)-7-OCTYLINDOLACTAM V

登记号

• CAS号: 109346-66-9
• PubChem SID: 162092546
• PubChem CID: 44134867

理论计算性质

• Acid pKa: 13.134158
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 5.3300767
• LogD (pH = 7.4): 5.330076
• Log P: 5.330077
• 摩尔折射率: 124.4179 cm^3
• 极化性: 49.015873 Å^3
• 极化表面积: 68.36 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: 0°C

产品相关信息

• 纯度: 99%

详细说明

MP Biomedicals - 02158972

Purity: 99%
Analog of teleocidin which is a non-phorbol activator of protein kinase C. It has higher potency and metabolic stability.

参考文献

• Fujiki, H. and Sugimura, T., Adv. Cancer Res. , 49 : 223 (1987).
• Collins, M. and Rozengurt, E., Biochem. Biophys. Res. Commun. , 104 : 1159 (1982).