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Crizotinib acetate

CAT: 0013-GTR19203231-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203231-01Size:25 mg
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Description
Crizotinib is an orally administered small molecule inhibitor targeting the c-Met/HGFR tyrosine kinase, exhibiting potential antineoplastic properties. It is widely used in cancer research, particularly in studies involving ALK and ROS1-driven tumors, with applications in both in vitro cellular assays and in vivo xenograft models.
CAS Number
877399-53-6
Field of Research
Cardiovascular Research, Pharmacology & Drug Discovery, Signal Transduction
Smiles
C (C) (O) =O.O ([C@H] (C) C1=C (Cl) C (F) =CC=C1Cl) C2=CC (C3=CN (N=C3) C4CCNCC4) =CN=C2N
Molecular Formula
C23H26Cl2FN5O3
Molecular Weight
510.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Crizotinib acetate
CAS Number877399-53-6
PubChem CID67175389
IUPAC Nameacetic acid;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
Molecular FormulaC23H26Cl2FN5O3
Molecular Weight510.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity589
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N.CC(=O)O
InChI
InChI=1S/C21H22Cl2FN5O.C2H4O2/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;1-2(3)4/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);1H3,(H,3,4)/t12-;/m1./s1
InChIKey
LFCVDLCLKZRGFW-UTONKHPSSA-N
Chemical Structure
2D Structure
2D structure of Crizotinib acetate
CAS: 877399-53-6
CID: 67175389
Formula: C23H26Cl2FN5O3
MW: 510.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass509.1396733
Monoisotopic Mass509.1396733
Topological Polar Surface Area115 Ų
Heavy Atom Count34
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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