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Substance Name: Bibw 22
RN: 137694-16-7
InChIKey: JNHIGDFEPXMPAO-COPRSSIGSA-N

Note

  • A bifunctional modulator of P-glycoprotein and nucleoside transport; may be useful as a modulator of combination chemotherapy involving compounds affected by multidrug resistance.

Molecular Weight

  • 565.715
 
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Names and Synonyms

Name of Substance

  • Bibw 22

Synonyms

  • 4-(N-(2-Hydroxy-2-methylpropyl)ethanolamino)-2,7-bis(cis-2,6-dimethylmorpholino)-6-phenylpteridine
  • Bibw-22
  • Bibw22 BS
  • RMKP-22

Systematic Name

  • 2-Propanol, 1-((2,7-bis(2,6-dimethyl-4-morpholinyl)-6-phenyl-4-pteridinyl)(2-hydroxyethyl)amino)-2-methyl-, (cis(cis))-

Registry Numbers

CAS Registry Number

  • 137694-16-7

System Generated Number

  • 0137694167

Structure Descriptors

InChI

1S/C30H43N7O4/c1-19-14-36(15-20(2)40-19)27-24(23-10-8-7-9-11-23)31-25-26(32-27)33-29(37-16-21(3)41-22(4)17-37)34-28(25)35(12-13-38)18-30(5,6)39/h7-11,19-22,38-39H,12-18H2,1-6H3/t19-,20+,21-,22+

InChIKey

JNHIGDFEPXMPAO-COPRSSIGSA-N

Smiles

C(C(C)(O)C)N(CCO)c1nc(nc2nc(c(nc12)c1ccccc1)N1C[C@H](O[C@H](C1)C)C)N1C[C@H](O[C@H](C1)C)C