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ChemicalBook >> CAS DataBase List >>3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)-

3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)-

3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)- Structure
3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)- structure
CAS No.
2240191-12-0
Chemical Name:
3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)-
Synonyms
BCR-ABL-IN-3;3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)-
CBNumber:
CB79834780
Molecular Formula:
C20H17ClF2N4O3S
Molecular Weight:
466.89
MDL Number:
MOL File:
2240191-12-0.mol
MSDS File:
SDS
Last updated:2025-04-17 18:22:24
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3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)- Properties

Boiling point 543.9±50.0 °C(Predicted)
Density 1.519±0.06 g/cm3(Predicted)
pka 10.83±0.70(Predicted)

3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)- Chemical Properties, Uses, Production

Uses

BCR-ABL-IN-3 is a potent and irreversible Bcr-Abl inhibitor with an IC50 of ≤100 nM for Ba/F3Bcr-AblT3151. BCR-ABL-IN-3 has anti-cancer activity[1].

in vivo

BCR-ABL-IN-3 (compound 7; 15 mg/kg; twice a day; for 19 days) has good antitumor effect in female NOD/SCID mice of 7-8 weeks weighing 21.8 g with Ba/F3Bcr-AblT3151 cells[1].
BCR-ABL-IN-3 (2 mg/kg for IV or 20mg/kg for PO) has a Cmax of 5485 ng/mL and an AUC of 5450 hng/mL for IV in male Sprague Dawley rats of 7-8 weeks old weighing 210 g[1].

IC 50

Ba/F3Bcr-AblT3151: ≤100 nM (IC50)

References

[1] Hanyi Wang, et al. (hetero)arylamide compound for inhibiting protein kinase activity. WO2018133826A1.

3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)- Preparation Products And Raw materials

Raw materials

Preparation Products

3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)- Suppliers

Global Suppliers ( 2)
Supplier Tel Email Country ProdList Advantage
BOC Sciences 16314854226; +8616314854226 inquiry@bocsci.com United States 19852 58
TargetMol Chemicals Inc. 15002134094 marketing@targetmol.cn China 29874 58
Supplier Advantage
BOC Sciences 58
TargetMol Chemicals Inc. 58

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3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(4-isothiazolyl)- BCR-ABL-IN-3 2240191-12-0 C20H17ClF2N4O3S