N-(2-aminoethyl)isoquinoline-5-sulfonamide dihydrochloride

• ChemBase ID: 105114
• Molecular Formular: C11H15Cl2N3O2S
• Molecular Mass: 324.2267
• Monoisotopic Mass: 323.0262031
• SMILES: Cl.Cl.NCCNS(=O)(=O)c1cccc2cnccc12
• Canonical SMILES: NCCNS(=O)(=O)c1cccc2c1ccnc2.Cl.Cl
• InChI: InChI=1S/C11H13N3O2S.2ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;;/h1-4,6,8,14H,5,7,12H2;2*1H
• InChIKey: HBLCYSFLYMHCBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)isoquinoline-5-sulfonamide dihydrochloride
• IUPAC Traditional name: N-(2-aminoethyl)isoquinoline-5-sulfonamide dihydrochloride
• Synonyms: N-(2-Aminoethyl)-5-isoquinolinesulfonamide hydrochloride; H-9 dihydrochloride; H-9; N-(2-AMINOETHYL)-5-ISOQUINOLINESULFONAMIDE DIHYDROCHLORIDE

Database IDs

• CAS Number: 84468-17-7
• MDL Number: MFCD00069286
• PubChem SID: 162091942
• PubChem CID: 11957465

CALCULATED PROPERTIES

• Acid pKa: 10.0892
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.160425
• LogD (pH = 7.4): -1.9382693
• Log P: -0.512082
• Molar Refractivity: 65.3557 cm^3
• Polarizability: 27.421032 Å^3
• Polar Surface Area: 85.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02158859

Dihydrochloride
Purity: 99%
Excellent for chromatographic purification of protein kinases. Protein kinase inhibitor.

Sigma Aldrich - H123

Biochem/physiol Actions
Protein kinase inhibitor effective against protein kinase c and cAMP- and cGMP-dependent protein kinases.
Application
Useful as an affinithy ligand for purification of protein kinases, which can be selectively eluted with increasing concentrations of L-arginine.1

REFERENCES

• Hidaka, H., et al., Biochemistry , 23 : 5036 (1984).
• Inagaki, M., et al., J. Biol. Chem. , 260 : 2922 (1985).
• Wolf, M., et al., ibid. , 260 : 15718 (1985).