(2S,3R)-3-(3,4-DIFLUOROPHENYL)-2-(4-FLUOROPHENYL)-4-HYDROXY-N-((3S)-2-OXO-5-PHENYL-2,3-1H-BENZO[E][1,4]DIAZEPIN-3-YL)BUTYRAMIDE
- CAS NO.:2081093-21-0
- Empirical Formula: C33H38F3N5O3
- Molecular Weight: 609.68
- MDL number: MFCD32197172
- Update Date: 2023-05-21 10:59:17
What is (2S,3R)-3-(3,4-DIFLUOROPHENYL)-2-(4-FLUOROPHENYL)-4-HYDROXY-N-((3S)-2-OXO-5-PHENYL-2,3-1H-BENZO[E][1,4]DIAZEPIN-3-YL)BUTYRAMIDE?
Description
CHMFL-ABL/KIT-155 (CHMFL-ABL-KIT-155; compound 34) is a highly potent and orally active type II ABL/c-KIT dual kinase inhibitor (IC50s of 46 nM and 75 nM, respectively), and it also presents significant inhibitory activities to BLK (IC50=81 nM), CSF1R (IC50=227 nM), DDR1 (IC50=116 nM), DDR2 (IC50=325 nM), LCK (IC50=12 nM) and PDGFRβ (IC50=80 nM) kinases. CHMFL-ABL/KIT-155 (CHMFL-ABL-KIT-155) arrests cell cycle progression and induces apoptosis[1]. IC50: 46 nM (type II ABL), 75 nM (c-KIT), 81 nM (BLK), 227 nM (CSF1R), 116 nM (DDR1), 325 nM (DDR2), 12 nM (LCK), 80 nM (PDGFRβ)[1]
CHMFL-ABL/KIT-155 (CHMFL-ABL-KIT-155) exhibits anti-proliferation activities in the BCR-ABL dependent CML cancer cell lines such as K562 (GI50: 0.027 µM), MEG-01 (GI50: 0.02 µM), and KU812 (GI50: 0.056 µM). It also potently inhibits the growth of c-KIT dependent GISTs cancer cell lines including GIST-T1 (GI50: 0.023 µM), GIST-882 (GI50: 0.095 µM) but not c-KIT independent GIST-48B (GI50: 3.96 µM) [1].
CHMFL-ABL/KIT-155 (CHMFL-ABL-KIT-155) (25-100 mg/kg; p.o.; once daily for 28 days) shows dose-dependent tumor progression suppression without apparent toxicity in female nu/nu mice bearing established K562 tumor xenografts[1].
What are the applications of Application
Compound 34 is a highly potent inhibitor of γ-secretase
References
[1]. Wang Q, et al. Discovery of 4-Methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-((1-nicotinoylpiperidin-4-yl)oxy)benzamide (CHMFL-ABL/KIT-155) as a Novel Highly Potent Type II ABL/KIT Dual Kinase Inhibitor with a Distinct Hinge Binding. J Med Chem. 2017 Jan 12;60(1):273-289.
Properties of (2S,3R)-3-(3,4-DIFLUOROPHENYL)-2-(4-FLUOROPHENYL)-4-HYDROXY-N-((3S)-2-OXO-5-PHENYL-2,3-1H-BENZO[E][1,4]DIAZEPIN-3-YL)BUTYRAMIDE
Boiling point: | 660.5±55.0 °C(Predicted) |
Density | 1.271±0.06 g/cm3(Predicted) |
storage temp. | Store at -20°C |
solubility | Soluble in DMSO |
pka | 12.67±0.70(Predicted) |
Safety information for (2S,3R)-3-(3,4-DIFLUOROPHENYL)-2-(4-FLUOROPHENYL)-4-HYDROXY-N-((3S)-2-OXO-5-PHENYL-2,3-1H-BENZO[E][1,4]DIAZEPIN-3-YL)BUTYRAMIDE
Computed Descriptors for (2S,3R)-3-(3,4-DIFLUOROPHENYL)-2-(4-FLUOROPHENYL)-4-HYDROXY-N-((3S)-2-OXO-5-PHENYL-2,3-1H-BENZO[E][1,4]DIAZEPIN-3-YL)BUTYRAMIDE
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