N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide hydrochloride

• ChemBase编号: 74782
• 分子式: C16H22Cl2N2O2S
• 平均质量: 377.32908
• 单一同位素质量: 376.07790431
• SMILES: S(=O)(=O)(c1ccc2c(c1)cccc2Cl)NCCCCCCN.Cl
• Canonical SMILES: NCCCCCCNS(=O)(=O)c1ccc2c(c1)cccc2Cl.Cl
• InChI: InChI=1S/C16H21ClN2O2S.ClH/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18;/h5-9,12,19H,1-4,10-11,18H2;1H
• InChIKey: FGWDLQXTCSKXSK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide hydrochloride
• IUPAC传统名: N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide hydrochloride
• 别名: N-(6-氨基己基)-5-氯-2-萘磺酰胺 盐酸盐; N-(6-Aminohexyl)-5-chloro-2-naphthalenesulfonamide Hydrochloride; N-(6-Aminohexyl)-5-chloro-2-naphthalenesulphonamide hydrochloride; N-(6-Aminohexyl)-5-chloro-2-naphthalenesulfonamide hydrochloride; N-(6-AMINOHEXYL)-5-CHLORO-2-NAPHTHALENESULFONAMIDE

登记号

• CAS号: 69762-85-2
• MDL号: MFCD00151342
• PubChem SID: 162039700
• PubChem CID: 44118677

理论计算性质

• Acid pKa: 9.83004
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.043599457
• LogD (pH = 7.4): 0.5080604
• Log P: 2.489403
• 摩尔折射率: 91.0294 cm^3
• 极化性: 37.55062 Å^3
• 极化表面积: 72.19 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Off-White Solid
• 熔点: 221-223°C

安全信息

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

详细说明

MP Biomedicals - 02154743

Hydrochloride A calmodulin antagonist.

Apollo Scientific Ltd - OR1050T

A calmodulin antagonist that binds to calmodulin and inhibits calcium-ion/calmodium-regulated enzyme activities.

Sigma Aldrich - A1796

Biochem/physiol Actions
钙调蛋白拮抗剂。

Toronto Research Chemicals - A610500

A calmodulin antagonist that binds to calmodulin and inhibits Ca2+/calmodulin-regulated enzyme activities.

参考文献

• Hidaka, H., et al., Proc. Nat. Acad. Sci. USA, 78: 4354, (1981).
• Hidaka, H., et al.: Proc. Nat. Acad. Sci. USA, 78, 4354 (1981)