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PD180970

CAT: 0931-T23128-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T23128-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
287204-45-9
Target
Src, Bcr-Abl, Apoptosis, c-Kit
Related Pathways
Cytoskeletal Signaling, Apoptosis, Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9867
Bioactivity
PD180970 is an inhibitor of Bcr-Abl with IC50s of 5 nM, 0.8 nM and 50 nM for the autophosphorylation of p210Bcr-Abl, Src and Kit. PD180970 can be used in studies about chronic myelogenous leukemia.
Smiles
Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Molecular Formula
C21H15Cl2FN4O
Molecular Weight
429.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PD-180970

inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source

CAS Number287204-45-9
PubChem CID5311104
IUPAC Name6-(2,6-dichlorophenyl)-2-(4-fluoro-3-methylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC21H15Cl2FN4O
Molecular Weight429.3
XLogP5.4
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity640
SMILES
CC1=C(C=CC(=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl)F
InChI
InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
InChIKey
SLCFEJAMCRLYRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD-180970
CAS: 287204-45-9
CID: 5311104
Formula: C21H15Cl2FN4O
MW: 429.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.3
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass428.0606947
Monoisotopic Mass428.0606947
Topological Polar Surface Area58.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-103274-01PD180970

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