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CAS 859212-16-1

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Bafetinib

Description:
Bafetinib is a small molecule inhibitor primarily used in the treatment of certain types of cancer, particularly chronic myeloid leukemia (CML) and acute lymphoblastic leukemia (ALL). It functions as a selective inhibitor of the BCR-ABL tyrosine kinase, which is a fusion protein that plays a critical role in the pathogenesis of these leukemias. The chemical formula of Bafetinib reflects its complex structure, which includes multiple functional groups that contribute to its pharmacological activity. It is characterized by its ability to inhibit cell proliferation and induce apoptosis in cancer cells that express the BCR-ABL fusion protein. Bafetinib is administered orally and is known for its relatively favorable pharmacokinetic profile, including good bioavailability. However, like many targeted therapies, it may be associated with side effects, which can include hematological toxicities and other organ-specific effects. Ongoing research continues to explore its efficacy and safety in various clinical settings, as well as its potential use in combination therapies.
Formula:C30H31F3N8O
InChI:InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1
InChI key:InChIKey=ZGBAJMQHJDFTQJ-DEOSSOPVSA-N
SMILES:C(C1=C(C(F)(F)F)C=C(C(NC2=CC(NC=3N=C(C=CN3)C=4C=NC=NC4)=C(C)C=C2)=O)C=C1)N5C[C@@H](N(C)C)CC5
Synonyms:
  • Benzamide, N-[3-([4,5′-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)-
  • Inno 406
  • N-[3-([4,5′-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
  • N-[3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
  • N-{3-[([5,5'-bipyrimidin]-2-yl)amino]-4-methylphenyl}-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide
  • Ns 187
  • Bafetinib
  • CS-239
  • Unii-nvw4Z03I9b
  • (S)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-3-(trifluoromethyl)benzamide
  • See more synonyms
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