MSC 2032964A - Moligand™, ≥98%(HPLC) , Inhibitor of mitogen-activated protein kinase kinase kinase 5, CAS No.1124381-43-6, Inhibitor of mitogen-activated protein kinase kinase kinase 5

CAS: 1124381-43-6 Cat. No.: M287311 Molecular Weight: 362.31

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

N-(5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)nicotinamide | AS-74425 | MRF-0000032 | N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide | SCHEMBL2788575 | N-(5-(Cycloprop

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-(5-(cyclopropylamino)-7-(trifluoromethyl)-[1, 2, 4]triazolo[1, 5-a]pyridin-2-yl)nicotinamide | AS-74425 | MRF-0000032 | N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1, 2, 4]triazolo[1, 5-a]pyridin-2-yl]pyridine-3-carboxamide | SCHEMBL2788575 | N-(5-(Cycloprop

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective ASK1 inhibitor (IC50= 93 nM). Selective for ASK1 over a panel of 210 kinases. Blocks LPS-induced ASK1 and p38 phosphorylation in cultured mouse astrocytes. Suppresses neuroinflammation in a mouse EAE model. Orally bioavailable and bra

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of mitogen-activated protein kinase kinase kinase 5

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC1NC2=CC(=CC3=NC(=NN23)NC(=O)C4=CN=CC=C4)C(F)(F)F
• IUPAC Name: N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
• InChIKey: XUKGFHHTSUKORV-UHFFFAOYSA-N
• 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)
• Isomeric SMILES: C1CC1NC2=CC(=CC3=NC(=NN23)NC(=O)C4=CN=CC=C4)C(F)(F)F
• Alternate CAS: 1124381-43-6
• Molecular Weight: 362.31
• Reaxy-Rn: 18991297
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18991297&ln=

Associated Targets(Human)

MAP3K5 Tchem Mitogen-activated protein kinase kinase kinase 5 (2 Activities)

Discover Target: MAP3K5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 7.25, Max Conc. mM: 20; Solvent:ethanol, Max Conc. mg/mL: 3.62, Max Conc. mM: 10 with gentle warming
• Molecular Weight: 362.310 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 362.11 Da
• Monoisotopic Mass: 362.11 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 529.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1