3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea

• ChemBase ID: 154704
• Molecular Formular: C26H35Cl2N7O
• Molecular Mass: 532.5084
• Monoisotopic Mass: 531.22801414
• SMILES: CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c1c(cccc1Cl)Cl
• Canonical SMILES: CCN(CCCCNc1ncc2c(n1)nc(c(c2)c1c(Cl)cccc1Cl)NC(=O)NC(C)(C)C)CC
• InChI: InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)
• InChIKey: MKVMEJKNLUWFSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
• IUPAC Traditional name: 3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
• Synonyms: 1-tert-Butyl-3-[6-(2,6-dichlorophenyl)-2-[[4-(diethylamino)butyl]amino]pyrido[2,3-d]pyrimidin-7-yl]urea; PF-1480232; PD-161570; N-[6-(2,6-Dichlorophenyl)-2-[[4-(diethylamino)butyl]amino]pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea; 1-Tert-butyl-3-[6-(2,6-dichloro-phenyl)-2-(4-diethylamino-butylamino)pyrido[2,3-d]pyrimidin-7-yl]urea; PD-161570

Database IDs

• CAS Number: 192705-80-9
• MDL Number: MFCD16618403
• PubChem SID: 162248842
• PubChem CID: 5328135

CALCULATED PROPERTIES

• Acid pKa: 11.504685
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 2.117705
• LogD (pH = 7.4): 2.8022866
• Log P: 5.4242797
• Molar Refractivity: 152.6838 cm^3
• Polarizability: 58.128258 Å^3
• Polar Surface Area: 95.07 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO: >10 mg/mL; Methanol
• Apperance: Off-White Solid; white to off-white powder
• Melting Point: 215-230°C

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 25-36/37/38
• Safety Statements: 26-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C26H35Cl2N7O

DETAILS

Sigma Aldrich - PZ0109

Biochem/physiol Actions
PD-161570 is an inhibitor of human FGF-1 receptor tyrosine kinase.
Legal Information
Sold for research purposes under agreement from Pfizer Inc.

Toronto Research Chemicals - P217490

A novel FGF-1 receptor tyrosine kinase inhibitor which has been shown to effectively suppress constitutive phosphorylation of the FGF-1 receptor in human ovarian carcinoma cells.

REFERENCES

• Batley, B.L. et al.: Life Sci., 62, 143 (1997)
• Hamby, J.M. et al.: J. Med. Chem., 40, 2296 (1997)
• Nandi, S. et al.: J. Enz. Inhib. Med. Chem., 24, 937 (1997)