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BMS-582949

CAT: 0957-S8124-02Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S8124-02Size:5 mg
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Description
BMS-582949 (PS540446) is a potent and selective p38 mitogen-activated protein kinase (p38 MAPK) inhibitor with IC50 of 13nM, inhibiting both p38 kinase activity and activation of p38.
CAS Number
623152-17-0
Synonyms
PS540446
Target
P38 MAPK
Activity
MAPK
Molecular Formula
C22H26N6O2
Storage Conditions
2 years -80 in solvent

Chemical Information

Bms-582949

BMS-582949 has been investigated for the treatment of Psoriasis.

CAS Number623152-17-0
PubChem CID10409068
IUPAC Name4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
Molecular FormulaC22H26N6O2
Molecular Weight406.5
XLogP3
Topological Polar Surface Area100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity627
SMILES
CCCNC(=O)C1=CN2C(=C1C)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)NC4CC4)C
InChI
InChI=1S/C22H26N6O2/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)
InChIKey
GDTQLZHHDRRBEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-582949
CAS: 623152-17-0
CID: 10409068
Formula: C22H26N6O2
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass406.21172409
Monoisotopic Mass406.21172409
Topological Polar Surface Area100 Ų
Heavy Atom Count30
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 Count1
Compound Is CanonicalizedYes

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Alternative Products

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B6187-25BMS-582949
sc-507348BMS 582949
B7850-1BMS-582949 hydrochloride
MBS3607648-01BMS-582949 HCl
A13563-10BMS-582949 10mg
A13563-5BMS-582949 5mg

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