4-(1,3-benzothiazol-2-yl)-N-methylaniline

• ChemBase编号: 154191
• 分子式: C14H12N2S
• 平均质量: 240.32348
• 单一同位素质量: 240.07211939
• SMILES: CNc1ccc(cc1)c1nc2ccccc2s1
• Canonical SMILES: CNc1ccc(cc1)c1nc2c(s1)cccc2
• InChI: InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3
• InChIKey: FHJRKGXJBXPBGA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(1,3-benzothiazol-2-yl)-N-methylaniline
• IUPAC传统名: 4-(1,3-benzothiazol-2-yl)-N-methylaniline
• 别名: 2-(4′-Methylaminophenyl)benzothiazole; BTA-1

登记号

• CAS号: 439858-28-3
• MDL号: MFCD04974146
• PubChem SID: 24724428; 162248330
• PubChem CID: 9837643

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.6051414
• LogD (pH = 7.4): 3.6109457
• Log P: 3.61102
• 摩尔折射率: 82.4241 cm^3
• 极化性: 28.945406 Å^3
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: soluble ~10 mg/mL
• 外观: yellow solid

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... APP(351)

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C14H12N2S

详细说明

Sigma Aldrich - B9934

Biochem/physiol Actions
BTA-1 is a probe for β-amyloid aggregates; fluorescent thioflavin-T derivative; exhibits high affinity for amyloid deposits; displays 50-fold higher affinity than thioflavin-T; selectively stains cerebral plaques and cerebrovascular amyloid deposits in the brains of PS1/APP transgenic mice, as well as Aβ fibrils in postmortem brain tissue obtained from AD patients; crosses the blood brain barrier.