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BMS-582949 hydrochloride

CAT: 0957-E8081-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E8081-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
912806-16-7
Additionnal Information
BMS-582949 hydrochloride is an orally active and highly selective p38α MAPK inhibitor, with an IC50 of 13 nM. BMS-582949 hydrochloride displays a significantly improved pharmacokinetic profile and is effective in inflammatory disease.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

BMS-582949 hydrochloride
CAS Number912806-16-7
PubChem CID11848302
IUPAC Name4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;hydrochloride
Molecular FormulaC22H27ClN6O2
Molecular Weight442.9
Topological Polar Surface Area100
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity627
SMILES
CCCNC(=O)C1=CN2C(=C1C)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)NC4CC4)C.Cl
InChI
InChI=1S/C22H26N6O2.ClH/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16;/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27);1H
InChIKey
BIYQUPNVBIOJIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BMS-582949 hydrochloride
CAS: 912806-16-7
CID: 11848302
Formula: C22H27ClN6O2
MW: 442.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass442.1884018
Monoisotopic Mass442.1884018
Topological Polar Surface Area100 Ų
Heavy Atom Count31
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B7850-5BMS-582949 hydrochloride
HY-14305A-01BMS-582949 (hydrochloride)
A21914-200BMS-582949 hydrochloride 200mg
A21914-50BMS-582949 hydrochloride 50mg
A21914-10BMS-582949 hydrochloride 10mg
A21914-5BMS-582949 hydrochloride 5mg
A21914-25BMS-582949 hydrochloride 25mg
A21914-1BMS-582949 hydrochloride 1mg
A21914-100BMS-582949 hydrochloride 100mg
A21914-10mM-DBMS-582949 hydrochloride 10mM * 1mL in DMSO

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