N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide

Base Information

• Chemical Name: N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
• CAS No.: 127243-85-0
• Molecular Formula: C20H20BrN3O2S
• Molecular Weight: 446.36
• Hs Code.: 29350090
• Pharos Ligand ID: Z2WC5SJJHXCK
• ChEMBL ID: CHEMBL1987756
• Mol file: 127243-85-0.mol

Synonyms:N-[2-[3-(4-bromophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide;CHEBI:47495;N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide;Kinome_2783;CBiol_002015;KBioGR_000447;KBioSS_000447;CHEMBL1987756;KBio2_000447;KBio2_003015;KBio2_005583;KBio3_000833;KBio3_000834;Bio1_000301;Bio1_000790;Bio1_001279;Bio2_000384;Bio2_000864;HMS3673M11;HMS3745E05;SB19596;NCGC00162073-05;n-[2-(p-bromocinnamylamino)ethyl]-5-isoquinolinesulphonamide

Chemical Property of N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.95E-18mmHg at 25°C
• Melting Point: 195-200 °C
• Boiling Point: 674.6°C at 760 mmHg
• PKA: 10.43±0.50(Predicted)
• Flash Point: 361.8°C
• PSA: 79.47000
• Density: 1.436
• LogP: 5.44120
• Storage Temp.: 2-8°C
• Solubility.: H2O: ≥10 mg/mL
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 445.04596
• Heavy Atom Count: 27
• Complexity: 570

Purity/Quality:

98%,99%, ^*data from raw suppliers

Protein Kinase Inhibitor H-89 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

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)NCCNCC=CC3=CC=C(C=C3)Br
• Description: H-89 (127243-85-0) is a commonly used inhibitor of protein kinase A (PKA? IC50?= 140 nM).? Inhibits a variety of other kinases including S6K1 (IC50?= 80 nM), MSK1 (120 nM), ROCK II (270 nM), PKBα (2.6 μM), PKD, PRK2, RSK1 and 2, SGK, AMPK, CHK1 and MAPKAP-K1b (2.8 μM).1,2
• Uses: Selective inhibitor of Protein Kinase A (cyclic AMP-dependeant Protein Kinase) with an inhibitory constant of 0.0048 uM Selective inhibitor of Protein Kinase A (cyclic AMP-dependeant Protein Kinase) with an inhibitory constant of 0.0048 uM.