(1S,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecane

• ChemBase编号: 72920
• 分子式: C16H26O5
• 平均质量: 298.37464
• 单一同位素质量: 298.17802393
• SMILES: [C@@H]12[C@@]34[C@@H](CC[C@H]1C)[C@H]([C@H](O[C@@H]3O[C@](CC2)(OO4)C)OC)C
• Canonical SMILES: CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
• InChI: InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15+,16-/m1/s1
• InChIKey: SXYIRMFQILZOAM-WJMRQGARSA-N

名称和登记号

名称

• IUPAC标准名: (1S,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecane
• IUPAC传统名: (1S,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecane
• 别名: Artemether

登记号

• CAS号: 71963-77-4
• PubChem SID: 162037840
• PubChem CID: 9796294

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.481392
• LogD (pH = 7.4): 3.481392
• Log P: 3.481392
• 摩尔折射率: 74.6605 cm^3
• 极化性: 30.79904 Å^3
• 极化表面积: 46.15 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S2264

Research Area: Infection
Biological Activity:
Artemether is an antimalarial for the treatment of resistant strains of falciparum malaria. Artemether has been shown to have significant anticancer and antitumor activities. It is demonstrated that artemether caused strong inhibitory effects on brain glioma growth and angiogenesis in rats. Artemether exhibits a dose- and time-dependent cytotoxicity, and induced apoptosis and G2 cell cycle arrest in ovarian cancer cell lines, human leukemia HL60 cells, and human pancreatic cancer BxPC-3 and AsPC-1 cells. [1][2]

参考文献

• Jiao Y et al. Acta Pharmacol Sin. 2007 Jul;28(7):1045-56.