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Lorlatinib (PF-6463922)

CAT: 1568-C17977Size: 10 mM / 1 mLDry Ice: YesHazardous: No
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CAT#:1568-C17977Size:10 mM / 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1454846-35-5
SKU
C17977-10mM/1mL
Target
ALK
Applications
Protein Tyrosine Kinase
Smiles
CC1C2=C (C=CC (=C2) F) C (=O) N (CC3=NN (C (=C3C4=CC (=C (N=C4) N) O1) C#N) C) C
Molecular Formula
C21H19FN6O2
Additionnal Information
Lorlatinib (PF-6463922) is a potent, dual ALK/ROS1 inhibitor with Ki of <0.02 nM, <0.07 nM, and 0.7 nM for ROS1, ALK (WT), and ALK (L1196M), respectively. PF-06463922 induces apoptosis. Phase 1.
Storage Conditions
2 years -80 in solvent

Chemical Information

Lorlatinib

Lorlatinib is a cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a nitrile, a member of benzamides, a member of pyrazoles, an aromatic ether, a cyclic ether, an organic heterotetracyclic compound, an aminopyridine, an azamacrocycle and a member of monofluorobenzenes.

CAS Number1454846-35-5
PubChem CID71731823
IUPAC Name(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
Molecular FormulaC21H19FN6O2
Molecular Weight406.4
XLogP1.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity700
SMILES
C[C@@H]1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C
InChI
InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
InChIKey
IIXWYSCJSQVBQM-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Lorlatinib
CAS: 1454846-35-5
CID: 71731823
Formula: C21H19FN6O2
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass406.15535203
Monoisotopic Mass406.15535203
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity700
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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