2-(pyridin-2-yl)-4H-1,3-benzothiazin-4-one

• ChemBase编号: 153249
• 分子式: C13H8N2OS
• 平均质量: 240.28042
• 单一同位素质量: 240.03573389
• SMILES: c1ccc2c(c1)c(=O)nc(s2)c1ccccn1
• Canonical SMILES: O=c1nc(sc2c1cccc2)c1ccccn1
• InChI: InChI=1S/C13H8N2OS/c16-12-9-5-1-2-7-11(9)17-13(15-12)10-6-3-4-8-14-10/h1-8H
• InChIKey: GBAKVEWPYUIGHN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(pyridin-2-yl)-4H-1,3-benzothiazin-4-one
• IUPAC传统名: 2-(pyridin-2-yl)-1,3-benzothiazin-4-one
• 别名: 2-Pyridin-2-yl-4H-1,3-benzothiazin-4-one; BTZO-1

登记号

• CAS号: 99420-15-2
• MDL号: MFCD19690951
• PubChem SID: 162247388
• PubChem CID: 9837640

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.4551294
• LogD (pH = 7.4): 2.5068052
• Log P: 2.5075088
• 摩尔折射率: 67.8108 cm^3
• 极化性: 25.80082 Å^3
• 极化表面积: 42.32 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: ≥7 mg/mL
• 外观: white to tan powder

安全信息

• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C13H8N2OS

详细说明

Sigma Aldrich - SML0121

Biochem/physiol Actions
BTZO-1 is a suppressor of cardiomyocyte apoptosis presumably by activation of antioxidant response element (ARE)-mediated gene expression. BTZO-1 binds to the macrophage migration inhibitory factor (MIF) that is required to activate the glutathione S-transferase Ya subunit (GST Ya) gene ARE.