Losmapimod (GW856553X) 2mg

CAT: 0628-A12526-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A12526-2Size:2 mg

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CAS Number

585543-15-3

Chemical Information

Losmapimod

Losmapimod is a secondary carboxamide resulting from the formal condensation of the carboxy group of 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxylic acid with the amino group of neopentylamine. It is a potent p38alpha/beta mitogen activated protein kinase inhibitor which was previously in clinical trials for the treatment of facioscapulohumeral muscular dystrophy trial now discontinued due to not achieving its primary endpoint. It has a role as a nootropic agent, an anti-inflammatory agent, a cardioprotective agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a secondary carboxamide, a member of benzamides, a pyridinecarboxamide, a member of toluenes, a phenylpyridine, a member of cyclopropanes and a member of monofluorobenzenes.

CAS Number	585543-15-3
PubChem CID	11552706
IUPAC Name	6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
Molecular Formula	C22H26FN3O2
Molecular Weight	383.5
XLogP	3.8
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	573

SMILES

CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)C

InChI

InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)

InChIKey

KKYABQBFGDZVNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 585543-15-3

CID: 11552706

Formula: C22H26FN3O2

MW: 383.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	383.5
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	383.20090524
Monoisotopic Mass	383.20090524
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	573
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS384859-01	Losmapimod (GW856553X)
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Losmapimod (GW856553X) 2mg

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