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Bibx 1382

CAS No.:
196612-93-8
Catalog Number:
AG00ABJ4
Molecular Formula:
C18H19ClFN7
Molecular Weight:
387.8418
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$222
- +
10mg
98%
1 week
United States
$350
- +
50mg
98%
1 week
United States
$1065
- +
Product Description
Catalog Number:
AG00ABJ4
Chemical Name:
Bibx 1382
CAS Number:
196612-93-8
Molecular Formula:
C18H19ClFN7
Molecular Weight:
387.8418
MDL Number:
MFCD09838900
IUPAC Name:
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
InChI:
InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)
InChI Key:
FTFRZXFNZVCRSK-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)Nc1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)Cl)F
UNII:
0MU316797D
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.137g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
387.847g/mol
Monoisotopic Mass:
387.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Characterization of aldehyde oxidase enzyme activity in cryopreserved human hepatocytes. Drug metabolism and disposition: the biological fate of chemicals 20120201
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
Epidermal growth factor receptor inhibitors for radiotherapy: biological rationale and preclinical results. The Journal of pharmacy and pharmacology 20080801
A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proceedings of the National Academy of Sciences of the United States of America 20071218
EGFR-TK inhibition before radiotherapy reduces tumour volume but does not improve local control: differential response of cancer stem cells and nontumourigenic cells? Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology 20070601
Antiproliferative effects of EGFR tyrosine kinase inhibition and radiation-induced genotoxic injury are attenuated by adhesion to fibronectin. Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology 20060801
Blockage of epidermal growth factor receptor-phosphatidylinositol 3-kinase-AKT signaling increases radiosensitivity of K-RAS mutated human tumor cells in vitro by affecting DNA repair. Clinical cancer research : an official journal of the American Association for Cancer Research 20060701
Different classes of EGFR inhibitors may have different potential to improve local tumour control after fractionated irradiation: a study on C225 in FaDu hSCC. Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology 20050201
Radiosensitization of Ras-mutated human tumor cells in vitro by the specific EGF receptor antagonist BIBX1382BS. Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology 20050201
Inhibition of epidermal growth factor receptor activity by two pyrimidopyrimidine derivatives. The Journal of pharmacology and experimental therapeutics 20041101
Caenorhabditis elegans as model system for rapid toxicity assessment of pharmaceutical compounds. Journal of pharmacological and toxicological methods 20040101
Selective inhibition of the epidermal growth factor receptor tyrosine kinase by BIBX1382BS and the improvement of growth delay, but not local control, after fractionated irradiation in human FaDu squamous cell carcinoma in the nude mouse. International journal of radiation biology 20030701
Phase I and pharmacokinetic study of BIBX 1382 BS, an epidermal growth factor receptor (EGFR) inhibitor, given in a continuous daily oral administration. European journal of cancer (Oxford, England : 1990) 20020501
BIBX1382BS, but not AG1478 or PD153035, inhibits the ErbB kinases at different concentrations in intact cells. Biochemical and biophysical research communications 20010216
Properties