ChemicalBook--->CAS DataBase List--->1388803-90-4

1388803-90-4

1388803-90-4 Structure

1388803-90-4 Structure
IdentificationBack Directory
[Name]

Vodobatinib
[CAS]

1388803-90-4
[Synonyms]

Vodobatinib
2-Chloro-6-methyl-N'-(4-methyl-3-(quinolin-3-ylethynyl)benzoyl)benzohydrazide
N'-(2-chloro-6-methylbenzoyl)-4-methyl-3-[2-(3-quinolyl)ethynyl]-benzohydrazide
Benzoic acid, 2-chloro-6-methyl-, 2-[4-methyl-3-[2-(3-quinolinyl)ethynyl]benzoyl]hydrazide
[Molecular Formula]

C27H20ClN3O2
[MDL Number]

MFCD34167514
[MOL File]

1388803-90-4.mol
[Molecular Weight]

453.92
Chemical PropertiesBack Directory
[Boiling point ]

748.6±60.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 125 mg/mL (275.38 mM; Need ultrasonic)
[form ]

Solid
[pka]

10.09±0.23(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Uses]

Vodobatinib (K0706) is a potent, third generation and orally active Bcr-Abl1 tyrosine kinase inhibitor with an IC50 of 7 nM. Vodobatinib exhibits activity against most BCR-ABL1 point mutants, and has no activity against BCR-ABL1T315I. Vodobatinib can be used for chronic myeloid leukemia (CML) research[1][2]. Vodobatinib is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
[IC 50]

BCR-ABL1: 7 nM (IC50)
[References]

[1] Orlando Antelope, et al. BCR-ABL1 tyrosine kinase inhibitor K0706 exhibits preclinical activity in Philadelphia chromosome-positive leukemia. Exp Hematol. 2019 Sep;77:36-40.e2. DOI:10.1016/j.exphem.2019.08.007
[2] Phase 1 Trial of Vodobatinib, a Novel Oral BCR-ABL1 Tyrosine Kinase Inhibitor (TKI): Activity in CML Chronic Phase Patients Failing TKI Therapies Including Ponatinib. Session: 632: Chronic Myeloid Leukemia: Therapy: CML: New and Beyond.
Spectrum DetailBack Directory
[Spectrum Detail]

Vodobatinib(1388803-90-4)1HNMR
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