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(R)-Crizotinib

CAT: 0607-A3020-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3020-50Size:50 mg
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Description
C-MET/ALK inhibitor,potent and ATP-competitve
CAS Number
877399-52-5
Product Name Alternative
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
Sequence
Crizotinib,PF-2341066, PF02341066, PF 2341066
Field of Research
Tyrosine Kinase ALK Tyrosine Kinase c-MET
Purity
0.9932
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥7.51 mg/mL in DMSO
Smiles
CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N
Molecular Formula
C21H22Cl2FN5O
Molecular Weight
450.34
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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

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