Bafetinib | CAS No. 859212-16-1

Bafetinib

Basic Information

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CAS Number

859212-16-1

Molecular Formula

C30H31F3N8O

Molecular Weight

576.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

166-168°C

SMILES

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CN([C@H]1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cncnc1)C)C

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

LogP

5.392620000000004

Topological Polar Surface Area

99.17 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

872

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(S)-N-(3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide
Bafetinib (INNO-406)
4-[[(3S)-3-Dimethylaminopyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluor
Bafetinib
BAFETINIB,PALE YELLOW SOLID
INNO-406
NS-187
INNO 406
CNS-9
NVW4Z03I9B
INNO406
4-[[(3S)-3-DIMETHYLAMINOPYRROLIDIN-1-YL]METHYL]-N-[4-METHYL-3-[(4-PYRIMIDIN-5-YLPYRIMIDIN-2-YL)AMINO]PHENYL]-3-(TRIFLUOROMETHYL)BENZAMIDE
(S)-N-(3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide
N-[3-(4,5'-Bipyrimidin-2-Ylamino)-4-Methylphenyl]-4-{[(3s)-3-(Dimethylamino)pyrrolidin-1-Yl]methyl}-3-(Trifluoromethyl)benzamide
(S

MDL Number

MFCD18633200

FAQ

What is Bafetinib (CAS: 859212-16-1)?

Bafetinib (CAS: 859212-16-1) is an orally administered small molecule tyrosine kinase inhibitor. It has a molecular formula of C29H29N5O5 and is used in the treatment of certain types of cancer, particularly in the management of gastrointestinal stromal tumors (GIST) and other solid tumors.

What are the main uses of Bafetinib (CAS: 859212-16-1)?

Bafetinib (CAS: 859212-16-1) is primarily used for the treatment of gastrointestinal stromal tumors (GIST) and other types of solid tumors. It is approved for use in patients who have had prior treatment with imatinib and have experienced disease progression.

Is Bafetinib (CAS: 859212-16-1) safe?

Bafetinib (CAS: 859212-16-1) is generally considered safe when used as directed. However, it can cause side effects such as nausea, fatigue, and skin rash. It is important to follow the prescribed dosage and monitoring protocols to ensure safety and effectiveness.

How should Bafetinib (CAS: 859212-16-1) be stored?

Bafetinib (CAS: 859212-16-1) should be stored at room temperature (15°C to 30°C or 59°F to 86°F). Protect it from light and moisture. Store it in a tightly closed container to prevent degradation. Do not expose it to extreme temperatures or direct sunlight.