N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide hydrochloride

Base Information

• Chemical Name: N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide hydrochloride
• CAS No.: 92564-34-6
• Molecular Formula: C₁₂H₁₅N₅O₂S*ClH
• Molecular Weight: 329.81
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00919108
• ChEMBL ID: CHEMBL1204354
• Mol file: 92564-34-6.mol

Synonyms:92564-34-6;HA-1004 hydrochloride;HA-1004 DIHYDROCHLORIDE;N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide hydrochloride;HA-1004 HCl;2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine;hydrochloride;SCHEMBL1165287;CHEMBL1204354;DTXSID00919108;GUGJQAFPKZZOIV-UHFFFAOYSA-N;AKOS040759489;FT-0629134;HA-1004 hydrochloride, >=98% (HPLC), powder;N-(2-guanidinoethyl)isoquinoline-5-sulfonamide hydrochloride;N-(2-guanidinoethyl)-5-isoquinolinesulfonamide monohydrochloride;N-(2-Carbamimidamidoethyl)isoquinoline-5-sulfonamide--hydrogen chloride (1/1)

Chemical Property of N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide hydrochloride

Chemical Property:

• Appearance/Colour: White crystalline solid
• Melting Point: 235-236 °C
• Boiling Point: 575.2 °C at 760 mmHg
• Flash Point: 301.7 °C
• PSA: 129.34000
• LogP: 3.46080
• Storage Temp.: −20°C
• Solubility.: H2O: 10 mM
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 329.0713236
• Heavy Atom Count: 21
• Complexity: 441

Purity/Quality:

98%Min ^*data from raw suppliers

N-(2-Guanidinoethyl)-5-isoquinolinesulfonamideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N.Cl
• Uses: A novel calcium antagonist and vasodilator with no effect on cardiac function A novel calcium antagonist and vasodilator with no effect on cardiac function.

Technology Process of N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide hydrochloride

There total 2 articles about N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

S-Methylisothiourea sulfate (867-44-7,147895-43-0) + H-9 (116700-36-8) → HA 1004 hydrochloride (92564-34-6,92564-08-4)

Guidance literature:

With sodium hydroxide; In water; at 80 ℃; for 3h;

DOI:10.1021/jm00121a009

Reference yield:

5-isoquinolinesulfonyl chloride (84468-15-5) → HA 1004 hydrochloride (92564-34-6,92564-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 1 h / Ambient temperature

2: 90 percent / 2 N NaOH / H₂O / 3 h / 80 °C

With sodium hydroxide; In dichloromethane; water;

DOI:10.1021/jm00121a009

upstream raw materials:

S-Methylisothiourea sulfate

H-9

5-isoquinolinesulfonyl chloride