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PD173074

CAT: 0127-BUP15494-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15494-01Size:5 mg
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CAS Number
219580-11-7
Purity
=95%
Smiles
CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1

Chemical Information

N-(2-((4-(Diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido(2,3-d)pyrimidin-7-yl)-N'-(1,1-dimethylethyl)urea

PD173074 is a member of the class of ureas that is 1-tert-butylurea in which one of the hydrogens attached to N3 is substituted by a pyrido[2,3-d]pyrimidin-7-yl group, which is itself substituted at positions 2 and 6 by a 4-(diethylamino)butyl]amino group and a 3,5-dimethoxyphenyl group, respectively. It is a FGF/VEGF receptor tyrosine kinase inhibitor. It has a role as an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a fibroblast growth factor receptor antagonist. It is an aromatic amine, a pyridopyrimidine, a member of ureas, a tertiary amino compound, a dimethoxybenzene and a biaryl. It is functionally related to a PD-166866.

CAS Number219580-11-7
PubChem CID1401
IUPAC Name1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
Molecular FormulaC28H41N7O3
Molecular Weight523.7
XLogP4.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity690
SMILES
CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C
InChI
InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
InChIKey
DXCUKNQANPLTEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((4-(Diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido(2,3-d)pyrimidin-7-yl)-N'-(1,1-dimethylethyl)urea
CAS: 219580-11-7
CID: 1401
Formula: C28H41N7O3
MW: 523.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.7
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass523.32708820
Monoisotopic Mass523.32708820
Topological Polar Surface Area114 Ų
Heavy Atom Count38
Formal Charge0
Complexity690
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
MBS577155PD173074
HY-10321R-01PD173074 (Standard)
A10703-25PD173074 25mg
A10703-5PD173074 5mg

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