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PD 180970

CAT: 0607-A8606-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A8606-10Size:10 mg
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Description
P210bcr/abl tyrosine kinase inhibitor
CAS Number
287204-45-9
Product Name Alternative
6-(2,6-dichlorophenyl)-2-(4-fluoro-3-methylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
Field of Research
TGF-β Smad Signaling Bcr-Abl Tyrosine Kinase Bcr-Abl
Purity
0.98
Form
Yellow solid
Solubility
<21.46mg/ml in DMSO
Smiles
CC1=C(C=CC(=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl)F
Molecular Formula
C21H15Cl2FN4O
Molecular Weight
429.27
Shipping Conditions
Blue ice
Storage Conditions
Store at -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

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