CAS: 859212-16-1 - Bafetinib

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: O=C(NC1=CC=C(C(=C1)NC=2N=CC=C(N2)C3=CN=CN=C3)C)C4=CC=C(C(=C4)C(F)(F)F)CN5CCC(N(C)C)C5

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

CAS: 859212-16-1

• Formula: C₃₀H₃₁F₃N₈O
• Purity: 95%
• Color and Shape: Solid
• Molecular weight: 576.6153

Bafetinib

CAS: 859212-16-1

Bafetinib

CAS: 859212-16-1

Bafetinib (INNO-406): Dual Bcr-Abl/Lyn inhibitor; IC50: 5.8/19 nM; ineffective against T315I mutant, less on c-Kit/PDGFR.

• Formula: C₃₀H₃₁F₃N₈O
• Purity: 94.16% - 99.68%
• Color and Shape: Solid
• Molecular weight: 576.62

Bafetinib

CAS: 859212-16-1

Applications A substituted benzamide derivative structurally related to STI-571 (Imatinib Mesylate). It was identified as …

• Formula: C₃₀H₃₁F₃N₈O
• Color and Shape: Neat
• Molecular weight: 576.62

INNO 406

CAS: 859212-16-1

Inhibitor of Bcr-Abl kinase

• Formula: C₃₀H₃₁F₃N₈O
• Purity: Min. 95%
• Molecular weight: 576.62 g/mol