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Bafetinib

Bafetinib structure

CAS No:
859212-16-1
Formula:
C30H31F3N8O
Chemical Name:
Bafetinib
Synonyms:
Benzamide,N-[3-([4,5′-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)-;N-[3-([4,5′-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide;NS 187;INNO 406;Bafetinib
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

Description

Bafetinib is a Lyn and Bcr-Abl tyrosine kinase inhibitor with potential antineoplastic activity.

Bafetinib has been used in trials studying the treatment of Adult Gliosarcoma, Adult Mixed Glioma, Adult Glioblastoma, Chronic Myeloid Leukemia, and Acute Lymphocytic Leukemia, among others.|Bafetinib is an orally active 2-phenylaminopyrimidine derivative with potential antineoplastic activity. INNO-406 specifically binds to and inhibits the Bcr/Abl fusion protein tyrosine kinase, an abnormal enzyme produced by Philadelphia chromosomal translocation associated with chronic myeloid leukemia (CML). Furthermore, this agent also inhibits the Src-family member Lyn tyrosine kinase, upregulated in imatinib-resistant CML cells and in a variety of solid cancer cell types. The inhibitory effect of INNO-406 on these specific tyrosine kinases decreases cellular proliferation and induces apoptosis. A high percentage of CML patients are refractory to imatinib, which sometimes results from point mutations occurring in the kinase domain of the Bcr/Abl fusion product. Due to its dual inhibitory activity, INNO-406 has been shown to overcome this particular drug resistance and to be a potent and effective agent in the treatment of imatinib-resistant CML.

Bafetinib Basic Attributes

Molecular Weight：

576.624

Exact Mass：

576.62

UNII：

NVW4Z03I9B

NCI Thesaurus Code：

C62516

Characteristics

PSA：

99.2

XLogP3：

4.2

Density：

1.4±0.1 g/cm3

Melting Point：

166-168°C

Refractive Index：

1.640

Storage Conditions：

Refrigerator

Drug Information

MeSH：

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)

MeSH Entry Terms：

bafetinib

Bafetinib Use and Manufacturing

Uses

A substituted benzamide derivative structurally related to STI-571 (Imatinib Mesylate). It was identified as highly potent Bcr-Abl kinase inhibitor.

Use Classification：

Human drugs -> Rare disease (orphan)

Computed Properties

Molecular Weight:576.6
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:576.25729213
Monoisotopic Mass:576.25729213
Topological Polar Surface Area:99.2
Heavy Atom Count:42
Complexity:872
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes