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Substance Name: Danusertib [INN]
RN: 827318-97-8
UNII: M3X659D0FY
InChIKey: XKFTZKGMDDZMJI-HSZRJFAPSA-N

Notes

  • An aurora kinase inhibitor.
  • NCI: A small-molecule 3-aminopyrazole derivative with potential antineoplastic activity. Dalotuzumab 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. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus)

Molecular Formula

  • C26-H30-N6-O3

Molecular Weight

  • 474.562
 
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Names and Synonyms

Name of Substance

  • Danusertib [INN]

Synonyms

  • Danusertib
  • N-(5-((2R)-2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
  • PHA 739358
  • PHA-739358
  • UNII-M3X659D0FY

Systematic Name

  • Benzamide, 4-(4-methyl-1-piperazinyl)-N-(1,4,5,6-tetrahydro-5-((2R)- methoxyphenylacetyl)pyrrolo(3,4-c)pyrazol-3-yl)-

Registry Numbers

CAS Registry Number

  • 827318-97-8

FDA UNII

  • M3X659D0FY

System Generated Number

  • 0827318978

Structure Descriptors

InChI

1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1

InChIKey

XKFTZKGMDDZMJI-HSZRJFAPSA-N

Smiles

CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5