dimethyl [(4-chlorophenyl)[(dimethoxyphosphoryl)oxy]methyl]phosphonate

• ChemBase编号: 154536
• 分子式: C11H17ClO7P2
• 平均质量: 358.649002
• 单一同位素质量: 358.01380382
• SMILES: COP(=O)(C(c1ccc(cc1)Cl)OP(=O)(OC)OC)OC
• Canonical SMILES: COP(=O)(C(c1ccc(cc1)Cl)OP(=O)(OC)OC)OC
• InChI: InChI=1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3
• InChIKey: VQHUQHAPWMNBLP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl [(4-chlorophenyl)[(dimethoxyphosphoryl)oxy]methyl]phosphonate
• IUPAC传统名: mifobate
• 别名: Dimethyl (α-dimethoxyphosphinyl-p-chlorobenzyl) phosphate; Mifobate; SR-202

登记号

• CAS号: 76541-72-5
• MDL号: MFCD00864813
• PubChem SID: 162248675; 24724601
• PubChem CID: 60910

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.7820082
• LogD (pH = 7.4): 2.7820082
• Log P: 2.7820082
• 摩尔折射率: 76.8922 cm^3
• 极化性: 31.724882 Å^3
• 极化表面积: 80.29 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: soluble5 mg/mL; H2O: insoluble
• 外观: white crystalline

安全信息

• 保存条件: desiccated
• RTECS编号: TB8817000
• 德国WGK号: 2
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C11H17ClO7P2

详细说明

Sigma Aldrich - S1320

Biochem/physiol Actions
SR-202 is a selective PPARγ antagonist. Improves insulin sensitivity in diabetic mice.
包装
Product is air sensitive