luvixasertib - Moligand™ , Inhibitor of TTK protein kinase, CAS No.1610759-22-2, Inhibitor of TTK protein kinase

CAS: 1610759-22-2 Cat. No.: L611619 PubChem CID: 118086034

GRADE & PURITY Moligand™

Synonyms

SCHEMBL16729234 | EX-A2577 | CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-1,5,11,14,19-PENTAHYDROXY-, (1.BETA.,3.BETA.,5.BETA.,11.ALPHA.)- | HE97PTK3Q6 | N-Cyclopropyl-4-(7-(((cis-3-hydroxy-3-methylcyclobutyl)methyl)amino)-5-(3-pyridinyl

Storage

Room temperature

Specifications

Synonyms

SCHEMBL16729234 | EX-A2577 | CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-1, 5, 11, 14, 19-PENTAHYDROXY-, (1.BETA., 3.BETA., 5.BETA., 11.ALPHA.)- | HE97PTK3Q6 | N-Cyclopropyl-4-(7-(((cis-3-hydroxy-3-methylcyclobutyl)methyl)amino)-5-(3-pyridinyl

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of TTK protein kinase

Names and Identifiers

• Canonical Smiles: Cc1c(ccc(c1)c1c2nc(cc(n2nc1)NCC1CC(C1)(C)O)Oc1cnccc1)C(=O)NC1CC1
• IUPAC Name: N-cyclopropyl-4-[7-[(3-hydroxy-3-methylcyclobutyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
• InChIKey: PMQUGSPFUBGJCZ-UHFFFAOYSA-N
• INCHI: 1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)
• Isomeric SMILES: CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CC(C4)(C)O)OC5=CN=CC=C5)C(=O)NC6CC6
• PubChem CID: 118086034

Associated Targets(Human)

TTK Tchem Dual specificity protein kinase TTK (0 Activities)

Discover Target: TTK

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

Chemical and Physical Properties

• Molecular Weight: 498.600 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 498.238 Da
• Monoisotopic Mass: 498.238 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 805.000
• 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