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PF-06439015 mesylate

CAT: 0931-T33946-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T33946-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1549629-82-4
Target
Others
Related Pathways
Others
Bioactivity
PF-06439015 overcomes clinical ALK (receptor tyrosine kinase anatropic lymphoma kinase) mutations resistant to krizotinib. Pf-06439015 is an effective selective inhibitor.
Smiles
[C@@H](OC=1C=C(C=NC1N)C=2SC([C@](CO)(C)O)=NC2C)(C)C3=C(C=CC(F)=C3)N4N=CC=N4
Molecular Formula
C22H23FN6O3S
Molecular Weight
470.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R)-2-[5-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
CAS Number1549629-82-4
PubChem CID72710568
IUPAC Name(2R)-2-[5-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
Molecular FormulaC22H23FN6O3S
Molecular Weight470.5
XLogP2.2
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity649
SMILES
CC1=C(SC(=N1)[C@@](C)(CO)O)C2=CC(=C(N=C2)N)O[C@H](C)C3=C(C=CC(=C3)F)N4N=CC=N4
InChI
InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1
InChIKey
DIXMBHMNEHPFCX-MCMMXHMISA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-[5-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
CAS: 1549629-82-4
CID: 72710568
Formula: C22H23FN6O3S
MW: 470.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass470.15363795
Monoisotopic Mass470.15363795
Topological Polar Surface Area160 Ų
Heavy Atom Count33
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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