2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-

2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]- Suppliers list
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2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]- Basic information
Product Name:2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-
Synonyms:(S)-CRIZOTINIB;2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-;Crizotinib impurity A;Crizotinib S-Isomer;Crizotinib Impurity 24;3-[(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine;Crizotinib, (S)-;ent-crizotinib
CAS:1374356-45-2
MF:C21H22Cl2FN5O
MW:450.34
EINECS:
Product Categories:Inhibitors
Mol File:1374356-45-2.mol
2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]- Structure
2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]- Chemical Properties
Boiling point 599.2±50.0 °C(Predicted)
density 1.47±0.1 g/cm3(Predicted)
storage temp. Store at -20°C
solubility DMF: 5 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 0.5 mg/ml; Ethanol: 0.5 mg/ml
form A solid
pka9.81±0.10(Predicted)
color Light yellow to yellow
InChI1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1
InChIKeyKTEIFNKAUNYNJU-LBPRGKRZSA-N
SMILESClC1=C([C@H](C)OC2=C(N)N=CC(C3=CN(C4CCNCC4)N=C3)=C2)C(Cl)=C(F)C=C1
CAS DataBase Reference1374356-45-2
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
MSDS Information
2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]- Usage And Synthesis
CharacteristicsMTH1 (NUDT1)-selective inhibitor.
Uses(S)-Crizotinib is the S-isomer of Crizotinib (C785000) and a novel potent, selective, and cell permeable MTH1 inhibitor. (S)-Crizotinib can also serve as a promising anticancer agent.
DefinitionChEBI: Ent-crizotinib is a 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that is the (S)-enantiomer of crizotinib. It is an enantiomer of a crizotinib.
Biological Activity(S)-crizotinib, (S)enantiomer-crizotinib, is a potent MTH1 (NUDT1) inhibitor with IC50 of 72 nM.
target
TargetValue
MTH1
(Cell-free assay)
72 nM
storageStore at RT
2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]- Preparation Products And Raw materials
Tag:2-Pyridinamine, 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-(1374356-45-2) Related Product Information
Lead Selenium Diethyl sulfate LEUHISTIN Angeli’s Salt Lignosulfonic acid Everolimus KU-55933 (ATM Kinase Inhibitor) Sunitinib Malate Crizotinib TH588 AZD-9291