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

• ChemBase ID: 74782
• Molecular Formular: C16H22Cl2N2O2S
• Molecular Mass: 377.32908
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide hydrochloride
• IUPAC Traditional name: N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide hydrochloride
• Synonyms: 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; N-(6-氨基己基)-5-氯-2-萘磺酰胺 盐酸盐

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 9.83004
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.043599457
• LogD (pH = 7.4): 0.5080604
• Log P: 2.489403
• Molar Refractivity: 91.0294 cm^3
• Polarizability: 37.55062 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: 221-223°C

Safety Information

• Storage Condition: 2-8°C; Refrigerator
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

DETAILS

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.

REFERENCES

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