naphtho[1,2-d][1,3]thiazol-2-amine

• ChemBase编号: 113655
• 分子式: C11H8N2S
• 平均质量: 200.25962
• 单一同位素质量: 200.04081927
• SMILES: n1c(sc2c1c1c(cc2)cccc1)N
• Canonical SMILES: Nc1nc2c(s1)ccc1c2cccc1
• InChI: InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)
• InChIKey: FECQXVPRUCCUIL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: naphtho[1,2-d][1,3]thiazol-2-amine
• IUPAC传统名: naphtho[1,2-d][1,3]thiazol-2-amine
• 别名: Naphtho[1,2-d]thiazol-2-ylamine; Naphtho[1,2-d]thiazol-2-ylamine; SKA-31

登记号

• CAS号: 40172-65-4
• MDL号: MFCD00051329
• PubChem SID: 162099064
• PubChem CID: 94880

理论计算性质

• Acid pKa: 16.326485
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.941391
• LogD (pH = 7.4): 2.9580555
• Log P: 2.9582725
• 摩尔折射率: 57.7526 cm^3
• 极化性: 24.339525 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: ≥30 mg/mL
• 外观: solid
• 熔点: 134 - 136°C
• 分配系数: 2.869
• 疏水性(logP): 2.997

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 危险公开号: 22-36
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319
• GHS警示性声明: P305 + P351 + P338
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC); 95%; 95+%
• Empirical Formula (Hill Notation): C11H8N2S

详细说明

Sigma Aldrich - S5576

Biochem/physiol Actions
SKA-31 is an activator of KCa2 and KCa3.1 calcium-activated potassium channels. Its EC50 is almost identical at 2-3 μM for all KCa2 subtypes, and about 10-fold lower (260 nM) at KCa3.1 channels. It has significant blood-pressure reducing activity in experimentally hypertensive mice,1 suggesting potassium channel activation as a therapeutic target for hypertension.
SKA31 is an activator of KCa2 and KCa3.1 Potassium Channels, Potentiates the EDHF Response and Lowers Blood Pressure.