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Crizotinib

CAT: 0013-GTR19174481-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174481-01Size:5 mg
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Description
Crizotinib (PF-02341066) is an ATP-competitive small molecule inhibitor of ALK, c-MET, and ROS1 tyrosine kinases. It demonstrates potent antitumor activity in vitro and has shown efficacy in inhibiting tumor growth in preclinical in vivo models of ALK-rearranged cancers.
CAS Number
877399-52-5
Product Name Alternative
PF-02341066; PF-1066
Field of Research
Cardiovascular Research, Cell Biology
Purity
>98%
Bioactivity
C-MET and ALK inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 25 mg/ml with warming) or in Ethanol (up to 25 mg/ml with warming)
Smiles
O ([C@H] (C) C1=C (Cl) C (F) =CC=C1Cl) C2=CC (C3=CN (N=C3) C4CCNCC4) =CN=C2N
Molecular Formula
C21H22Cl2FN5O
Molecular Weight
450.34
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
3-[ (1R) -1- (2,6-Dichloro-3-fluorophenyl) ethoxy]-5-[1- (4-piperidinyl) -1H-pyrazol-4-yl]-2-pyridinamine

Chemical Information

Crizotinib

Crizotinib is a 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC). It has a role as an antineoplastic agent, a biomarker and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is an enantiomer of an ent-crizotinib.

CAS Number877399-52-5
PubChem CID11626560
IUPAC Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
Molecular FormulaC21H22Cl2FN5O
Molecular Weight450.3
XLogP3.7
Topological Polar Surface Area78
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity557
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N
InChI
InChI=1S/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-/m1/s1
InChIKey
KTEIFNKAUNYNJU-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Crizotinib
CAS: 877399-52-5
CID: 11626560
Formula: C21H22Cl2FN5O
MW: 450.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass449.1185439
Monoisotopic Mass449.1185439
Topological Polar Surface Area78 Ų
Heavy Atom Count30
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T1661-01Crizotinib

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