Bafetinib

CAT: 0013-GTR19171966-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19171966-01Size:1 mg

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Description

Bafetinib (INNO-406) is a potent and selective dual inhibitor of Bcr-Abl and Lyn kinases, with IC50 values of 5.8 nM and 19 nM, respectively. It shows minimal activity against c-Kit and PDGFR and is ineffective against the T315I mutant. This compound is used in research for chronic myeloid leukemia, demonstrating efficacy in both cellular and animal models of the disease.

CAS Number

859212-16-1

Product Name Alternative

INNO 406, INNO406, INNO-406, Inhibitor, NS187, NS-187, NS 187, inhibit, mutations, Lyn, Abl, Autophagy, Apoptosis, Bafetinib, BcrAbl, Bcr-Abl, philadelphia chromosome-positive leukemias, Src

Field of Research

Cardiovascular Research, Cell Biology, Signal Transduction

Purity

94.16% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (5.72 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:120 mg/mL (208.11 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble)

Smiles

CN (C) [C@H]1CCN (Cc2ccc (cc2C (F) (F) F) C (=O) Nc2ccc (C) c (Nc3nccc (n3) -c3cncnc3) c2) C1

Molecular Formula

C30H31F3N8O

Molecular Weight

576.62

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Bafetinib

Bafetinib is a biaryl.

CAS Number	859212-16-1
PubChem CID	11387605
IUPAC Name	4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
Molecular Formula	C30H31F3N8O
Molecular Weight	576.6
XLogP	4.2
Topological Polar Surface Area	99.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	42
Formal Charge	0
Complexity	872

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CC[C@@H](C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5

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

InChIKey

ZGBAJMQHJDFTQJ-DEOSSOPVSA-N

Chemical Structure

2D Structure

CAS: 859212-16-1

CID: 11387605

Formula: C30H31F3N8O

MW: 576.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
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 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	872
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BA2759-10	Bafetinib

Bafetinib

Chemical Information

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