GSK-5498A 25mg

CAT: 0628-A21862-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A21862-25Size:25 mg

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CAS Number

1253186-49-0

Chemical Information

Gsk-5498A

GSK-5498A is a member of the class of pyrazoles that is 1H-pyrazole substituted by 2-fluoro-6-(trifluoromethyl)benzyl and (2,6-difluorobenzoyl)amino groups at positions 1 and 3, respectively. It is a inhibitor of Ca2+ release-activated Ca2+ (CRAC) channel and inhibits the release of mast cell mediators and T-cell cytokines in human and rat preparations. It has a role as a calcium channel blocker. It is a secondary carboxamide, a member of pyrazoles, a difluorobenzene and a member of (trifluoromethyl)benzenes.

CAS Number	1253186-49-0
PubChem CID	46945384
IUPAC Name	2,6-difluoro-N-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
Molecular Formula	C18H11F6N3O
Molecular Weight	399.3
XLogP	4.2
Topological Polar Surface Area	46.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	538

SMILES

C1=CC(=C(C(=C1)F)CN2C=CC(=N2)NC(=O)C3=C(C=CC=C3F)F)C(F)(F)F

InChI

InChI=1S/C18H11F6N3O/c19-12-4-1-3-11(18(22,23)24)10(12)9-27-8-7-15(26-27)25-17(28)16-13(20)5-2-6-14(16)21/h1-8H,9H2,(H,25,26,28)

InChIKey

AUBGZAJDHUHMAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1253186-49-0

CID: 46945384

Formula: C18H11F6N3O

MW: 399.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	399.3
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	399.08063096
Monoisotopic Mass	399.08063096
Topological Polar Surface Area	46.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	538
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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Alternative Products

Catalog	Name
T11473-01	GSK-5498A
T25471-01	GSK-A
MBS131437	GSK163090 (GSK-163090; GSK 163090)
MBS131519	GSK369796 (GSK-369796, GSK 369796)
A3450-5.1	GSK-923295
BA4485-5.1	GSK-25
B7751-100	GSK 2193874
A3445-5.1	GSK 525768A
BA6566-50	GSK-7975A
BA8749-25	GSK-F1

GSK-5498A 25mg

Chemical Information

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