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Danusertib

Danusertib structure

CAS No:
827318-97-8
Formula:
C26H30N6O3
Chemical Name:
Danusertib
Synonyms:
danusertib;N-[5-((2R)-2-Methoxy-2-phenylethanoyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;PHA-739358;(R)-N-(5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide,PHA739358;Benzamide, 4-(4-methyl-1-piperazinyl)-N-(1,4,5,6-tetrahydro-5-((2R)- methoxyphenylacetyl)pyrrolo(3,4-C)pyrazol-3-yl)-;Unii-m3X659D0fy;Danusertib(PHA-739358);PHA-739358(Danusertib)
Categories:
Biochemical Engineering > Inhibitors

Description

Danusertib is a pyrrolo-pyrazole and aurora kinase inhibitor with IC50 of 13, 79, and 61 nM for Aurora A, B, and C, respectively.

N-[5-[(2R)-2-methoxy-1-oxo-2-phenylethyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methyl-1-piperazinyl)benzamide is a member of piperazines.|Danusertib has been used in trials studying the treatment of Leukemia.|Danusertib is a small-molecule 3-aminopyrazole derivative with potential antineoplastic activity. Danusertib binds to and inhibits the Aurora kinases, which may result in cell growth arrest and apoptosis in tumor cells in which Aurora kinases are overexpressed. This agent may preferentially bind to and inhibit Aurora B kinase. Aurora kinases, a family of serine-threonine kinases, are important regulators of cellular proliferation and division.

Danusertib Basic Attributes

Molecular Weight：

474.55

Exact Mass：

474.237946

UNII：

M3X659D0FY

NCI Thesaurus Code：

C61587

Characteristics

PSA：

93.8

XLogP3：

1.8

Density：

1.3±0.1 g/cm3

Boiling Point：

664.149°C at 760 mmHg

Flash Point：

355.5±31.5 °C

Refractive Index：

1.663

Drug Information

MeSH Entry Terms：

danusertib

Danusertib Use and Manufacturing

An Aurora kinase inhibitor, used to treat patients with chromic myeloid leukemia.

Computed Properties

Molecular Weight:474.6
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:474.23793884
Monoisotopic Mass:474.23793884
Topological Polar Surface Area:93.8
Heavy Atom Count:35
Complexity:731
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Danusertib(PHA-739358)

CAS No.: 827318-97-8

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