N-(4-aminobutyl)naphthalene-2-sulfonamide hydrochloride

• ChemBase编号: 73940
• 分子式: C14H19ClN2O2S
• 平均质量: 314.83086
• 单一同位素质量: 314.08557654
• SMILES: S(=O)(=O)(c1ccc2c(c1)cccc2)NCCCCN.Cl
• Canonical SMILES: NCCCCNS(=O)(=O)c1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C14H18N2O2S.ClH/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14;/h1-2,5-8,11,16H,3-4,9-10,15H2;1H
• InChIKey: WYFVKUWCEVMLOL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(4-aminobutyl)naphthalene-2-sulfonamide hydrochloride
• IUPAC传统名: N-(4-aminobutyl)naphthalene-2-sulfonamide hydrochloride
• 别名: N-(4-氨基丁基)-2-萘磺酰胺 盐酸盐; N-(4-Aminobutyl)-2-naphthalenesulfonamide Monohydrochloride; N-(4-Aminobutyl)-2-naphthalenesulfonamide Hydrochloride; N-(4-Aminobutyl)-2-naphthalenesulfonamide hydrochloride; W-12; N-(4-AMINOBUTYL)-2-NAPHTHALENESULFONAMIDE; N-(4-Aminobutyl)-2-naphthalenesulphonamide hydrochloride

登记号

• CAS号: 89108-46-3
• MDL号: MFCD00058052
• PubChem SID: 24890726; 162038859
• PubChem CID: 9839864

理论计算性质

• Acid pKa: 10.300089
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.440691
• LogD (pH = 7.4): -0.79196763
• Log P: 1.1266316
• 摩尔折射率: 77.0226 cm^3
• 极化性: 32.00974 Å^3
• 极化表面积: 72.19 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Ethanol; H2O: soluble (Stock solutions of approx. 5 mM are suggested. Stocks should be stable for at least 6 months when stored at 4 °C); Water
• 外观: White Solid; yellow tan powder
• 熔点: 181-182°C

安全信息

• 保存条件: 0°C; -20°C Freezer
• 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

产品相关信息

• 级别: analytical standard, for drug analysis
• Empirical Formula (Hill Notation): C14H18N2O2S · HCl

详细说明

MP Biomedicals - 02159691

Hydrochloride
A calmodulin antagonist.

Apollo Scientific Ltd - OR0300T

Binds to calmodulin and inhibits calcium-ion-calmodulin-regulated activities, including phosphodiesterase activation and myosin light chain kinase.

Sigma Aldrich - A3168

Biochem/physiol Actions
钙调蛋白拮抗剂；抑制 Ca2+/钙调蛋白活化磷酸二酯酶和肌球蛋白轻链激酶。

Toronto Research Chemicals - A603000

Calmodulin antagonist that binds to calmodulin and inhibits calcium-ion-calmodulin- regulated activities, including phosphodiesterase activation and myosin light chain kinase.

参考文献

• Hidaka, et al., Proc. Nat. Acad. Sci. (USA) , 78 : 4354, (1981).
• Hidaka, H., et al.: Protein, Nuc. Acid and Enzyme, 26, 977 (1981)