H-1152 Dihydrochloride

Base Information

• Chemical Name: H-1152 Dihydrochloride
• CAS No.: 871543-07-6
• Molecular Formula: C₁₆H₂₁N₃O₂S*ClH
• Molecular Weight: 355.889
• DSSTox Substance ID: DTXSID90880075
• Mol file: 871543-07-6.mol

Synonyms:Coiled-Coil Kinase, rho-Associated;p160 rhoA Binding Kinase ROKalpha;p160 RhoA-binding kinase ROKalpha;p160ROCK;Protein Kinases, ROCK;rho Associated Coiled Coil Containing Protein Kinase 1;rho Associated Coiled Coil Containing Protein Kinase 2;rho Associated Coiled Coil Kinase;rho Associated Kinase;rho Associated Kinase 1;rho Associated Kinase 2;rho Associated Kinase alpha;rho Associated Kinase beta;rho Associated Kinases;rho Associated Protein Kinase alpha;rho Associated Protein Kinase beta;rho Kinase;Rho-associated coiled-coil containing protein kinase 1;Rho-associated coiled-coil containing protein kinase 2;Rho-associated coiled-coil kinase;Rho-associated kinase;rho-Associated Kinase 1;rho-Associated Kinase 2;rho-associated kinase alpha;rho-Associated Kinase beta;rho-Associated Kinases;rho-associated protein kinase alpha;rho-Associated Protein Kinase beta;Rho-kinase;ROCK I Protein Kinase;ROCK II Protein Kinase;ROCK Protein Kinases;ROCK-I protein kinase;ROCK-II protein kinase;ROK kinase

Chemical Property of H-1152 Dihydrochloride

Chemical Property:

• Melting Point: 182-184°C
• PSA: 70.68000
• LogP: 4.86720
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Methanol, Water
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 391.0888035
• Heavy Atom Count: 24
• Complexity: 476

Purity/Quality:

97% ^*data from raw suppliers

H1152, dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C.Cl.Cl
• Isomeric SMILES: C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C.Cl.Cl
• Uses: ROCK Inhibitor. A cell-permeable isoquinolinesulfonamide compoud that acts as a highly specific, potent, and ATP-competitive inhibitor of G-protein Rho-associated kinase (ROCK: Ki=1.6nM). Exhibits a much weaker affinity for other serine/threonine ROCK Inhibitor. A cell-permeable isoquinolinesulfonamide compound that acts as a highly specific, potent, and ATP-competitive inhibitor of G-protein Rho-associated kinase (ROCK: Ki=1.6nM). Exhibits a much weaker affinity for other serine/threonine kinases (Ki=630nM for PKA 9.27 mMfor PKC, and 10.1mM for MLCK). Shown to selectively block lysophosphatidic acid-induced, but not PDBu-induced, phosphorylation of myristoylated alanine-rich C kinase substrate MARCKS (IC50=2.5nM) in NT-2 cells.

Technology Process of H-1152 Dihydrochloride

There total 3 articles about H-1152 Dihydrochloride 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:

4-methyl-5-isoquinolinesulfonyl chloride (194032-16-1) → hexahydro-2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-1H-1,4-diazepine hydrochloride (871543-07-6)

Guidance literature:

Reference yield:

→ (S)-(+)-hexahydro-2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-1H-1,4-diazepine hydrochloride (871543-07-6)

Guidance literature:

Reference yield:

→ (R)-(-)-hexahydro-2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-1H-1,4-diazepine hydrochloride (871543-07-6)

Guidance literature:

upstream raw materials:

4-methyl-5-isoquinolinesulfonyl chloride

Refernces