3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

• ChemBase编号: 153683
• 分子式: C15H10Cl2N2O2S
• 平均质量: 353.2231
• 单一同位素质量: 351.98400393
• SMILES: COc1cc(c(cc1Cl)Cl)n1c(=O)c2ccccc2nc1S
• Canonical SMILES: COc1cc(c(cc1Cl)Cl)n1c(S)nc2c(c1=O)cccc2
• InChI: InChI=1S/C15H10Cl2N2O2S/c1-21-13-7-12(9(16)6-10(13)17)19-14(20)8-4-2-3-5-11(8)18-15(19)22/h2-7H,1H3,(H,18,22)
• InChIKey: NZJKEVWTYMOYOR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
• IUPAC传统名: 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanylquinazolin-4-one
• 别名: 3-(2,4-Dichloro-5-methoxyphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone; 3-(2,4-Dichloro-5-methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone; Mdivi-1; Mdivi-1

登记号

• CAS号: 338967-87-6
• MDL号: MFCD00974506
• PubChem SID: 162247822
• PubChem CID: 3825829

理论计算性质

• Acid pKa: 5.602173
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 4.463483
• LogD (pH = 7.4): 3.6294134
• Log P: 4.6924047
• 摩尔折射率: 91.4053 cm^3
• 极化性: 34.182037 Å^3
• 极化表面积: 41.9 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: >20 mg/mL
• 外观: powder

安全信息

• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• RID/ADR: UN 2811 6.1/PG 3
• 保存温度: -20°C

药理学性质

• 作用靶点: Dynamin

产品相关信息

• 纯度: ≥98% (HPLC)
• 成盐信息: Free Base
• 运输包装: wet ice
• Empirical Formula (Hill Notation): C15H10Cl2N2O2S

详细说明

Sigma Aldrich - M0199

Biochem/physiol Actions
Mdivi-1 is a cell-permeable selective inhibitor of mitochondrial division DRP (dynamin-related GTPase) and inhibitor of the mitochondrial division dynamin (Dnm1). Mitochondrial fusion and division play important roles in the regulation of apoptosis. Mdivi-1 is the first selective inhibitor of mitochondrial division dynamins. In principle, Mdivi-1 represents a class of therapeutics for stroke, myocardial infarction, and neurodegenerative diseases.