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Substance Name: Vismodegib [USAN:INN]
RN: 879085-55-9
UNII: 25X868M3DS
InChIKey: BPQMGSKTAYIVFO-UHFFFAOYSA-N

Note

  • Inhibits the hedgehog pathway and ABC transporters; has antineoplastic activity.

    NCI: An orally bioavailable small molecule with potential antineoplastic activity. Vismodegib targets the Hedgehog signaling pathway, blocking the activities of the Hedgehog-ligand cell surface receptors PTCH and/or SMO and suppressing Hedgehog signaling. The Hedgehog signaling pathway plays an important role in tissue growth and repair; aberrant constitutive activation of Hedgehog pathway signaling and uncontrolled cellular proliferation may be associated with mutations in the Hedgehog-ligand cell surface receptors PTCH and SMO. (NCI Thesaurus)

Molecular Formula

  • C19-H14-Cl2-N2-O3-S

Molecular Weight

  • 421.3026
 

Classification Codes

  • Antineoplastic
  • Antineoplastic Agents

Names and Synonyms

Name of Substance

  • HhAntag691
  • Vismodegib [USAN:INN]

Synonyms

  • Erivedge
  • GDC 0449
  • GDC-0449
  • GDC0449
  • HSDB 8130
  • NSC 747691
  • R 3616
  • UNII-25X868M3DS
  • Vismodegib

Systematic Name

  • Benzamide, 2-chloro-N-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 879085-55-9

FDA UNII

  • 25X868M3DS

System Generated Number

  • 0879085559

Structure Descriptors

InChI

1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)

InChIKey

BPQMGSKTAYIVFO-UHFFFAOYSA-N

Smiles

n1ccccc1c1c(ccc(c1)NC(=O)c1c(cc(cc1)S(=O)(=O)C)Cl)Cl