CAS 859212-16-1

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
• 4-[[(3S)-3-Dimethylaminopyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
• Bafetinib(INNO 406,NS 187)
• INNO 406 - Bafetinib
• Bafetinib N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
• Bafetinib (INNO-406)
• NS-187; BAFETINIB; INNO406

Bafetinib

CAS: 859212-16-1

Formula: C₃₀H₃₁F₃N₈O

Purity: %

Color and Shape: Solid

Molecular weight: 576.6153

Ref: IN-DA00GTX5

Bafetinib

CAS: 859212-16-1

Bafetinib

Purity: ≥90%

Molecular weight: 576.62g/mol

Ref: 54-BUP12763

(S)-N-(3-([4,5'-Bipyrimidin]-2-Ylamino)-4-Methylphenyl)-4-((3-(Dimethylamino)Pyrrolidin-1-Yl)Methyl)-3-(Trifluoromethyl)Benzamide

CAS: 859212-16-1

(S)-N-(3-([4,5'-Bipyrimidin]-2-Ylamino)-4-Methylphenyl)-4-((3-(Dimethylamino)Pyrrolidin-1-Yl)Methyl)-3-(Trifluoromethyl)Benzamide

Purity: 98%

Molecular weight: 576.62g/mol

Ref: 54-PC108727

Bafetinib

CAS: 859212-16-1

Ref: 7W-GW4947

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

Ref: TM-T6311

Bafetinib

CAS: 859212-16-1

Applications A substituted benzamide derivative structurally related to STI-571 (Imatinib Mesylate). It was identified as highly potent Bcr-Abl kinase inhibitor. It is a COVID19-related research product.
References Li, Q., et al.: J. Med. Chem., 39, 3070 (1996), Ptasznik, A., et al.: Nat. Med., 10, 1187 (2004), Tetsuo, A., et al.: Bioorg. Med. Chem. Lett., 16, 1421 (2006),

Formula: C₃₀H₃₁F₃N₈O

Color and Shape: Neat

Molecular weight: 576.62

Ref: TR-B109050

INNO 406

CAS: 859212-16-1

Inhibitor of Bcr-Abl kinase

Formula: C₃₀H₃₁F₃N₈O

Purity: Min. 95%

Molecular weight: 576.62 g/mol

Ref: 3D-FB18128