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MSC 2032964A

CAT: 0931-T33514-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33514-07Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1124381-43-6
Target
ASK, p38 MAPK, MAPK
Related Pathways
MAPK, Apoptosis
Purity
>99.99%
Bioactivity
MSC 2032964A is a potent selective ASK1 inhibitor (IC50 = 93 nM) that is oral bioavailable and brain permeable. It inhibited neuroinflammation in mouse EAE models and blocked LPS-induced phosphorylation of ASK1 and p38 in cultured mouse astrocytes.
Smiles
FC(F)(F)c1cc(NC2CC2)n2nc(NC(=O)c3cccnc3)nc2c1
Molecular Formula
C16H13F3N6O
Molecular Weight
362.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Msc2032964A
CAS Number1124381-43-6
PubChem CID25214468
IUPAC NameN-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
Molecular FormulaC16H13F3N6O
Molecular Weight362.31
XLogP2.6
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity529
SMILES
C1CC1NC2=CC(=CC3=NC(=NN23)NC(=O)C4=CN=CC=C4)C(F)(F)F
InChI
InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)
InChIKey
XUKGFHHTSUKORV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Msc2032964A
CAS: 1124381-43-6
CID: 25214468
Formula: C16H13F3N6O
MW: 362.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.31
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass362.11029355
Monoisotopic Mass362.11029355
Topological Polar Surface Area84.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity529
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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CatalogName
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