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NMS-P937 (NMS1286937)

NMS-P937 (NMS1286937) structure

CAS No:
1034616-18-6
Formula:
C24H27F3N8O3
Chemical Name:
NMS-P937 (NMS1286937)
Synonyms:
NMS-1286937;4,5-Dihydro-1-(2-hydroxyethyl)-8-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide;NMS-P937 (NMS1286937);NMS-P937;NMS-1286937,NMS-P937
Categories:
Biochemical Engineering > Inhibitors

Description

Onvansertib is under investigation in clinical trial NCT03303339 (Onvansertib in Combination With Either Low-dose Cytarabine or Decitabine in Adult Patients With Acute Myeloid Leukemia (AML).).|Onvansertib is an orally bioavailable, adenosine triphosphate (ATP) competitive inhibitor of polo-like kinase 1 (PLK1; PLK-1; STPK13), with potential antineoplastic activity. Upon administration, onvansertib selectively binds to and inhibits PLK1, which disrupts mitosis and induces selective G2/M cell-cycle arrest followed by apoptosis in PLK1-overexpressing tumor cells. PLK1, named after the polo gene of Drosophila melanogaster, is a serine/threonine kinase that is crucial for the regulation of mitosis, and plays a key role in tumor cell proliferation. PLK1 expression is upregulated in a variety of tumor cell types and high expression is associated with increased aggressiveness and poor prognosis.

NMS-P937 (NMS1286937) Basic Attributes

Molecular Weight：

532.5181896

Exact Mass：

532.216

UNII：

67RM91WDHQ

NCI Thesaurus Code：

C143162

Characteristics

PSA：

135

XLogP3：

Density：

1.57±0.1 g/cm3(Predicted)

Boiling Point：

757.8±70.0 °C(Predicted)

Drug Information

MeSH：

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)

MeSH Entry Terms：

1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino)-4,5-dihydropyrazolo(4,3-h)quinazoline-3-carboxamide|NMS P937

Computed Properties

Molecular Weight:532.5
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:532.21582124
Monoisotopic Mass:532.21582124
Topological Polar Surface Area:135
Heavy Atom Count:38
Complexity:817
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes