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140674-76-6 | Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
CAS No: 140674-76-6 Catalog No: AG001COK MDL No:
Product Description
Catalog Number:
AG001COK
Chemical Name:
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
CAS Number:
140674-76-6
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
InChI:
InChI=1S/C15H15NO4/c1-20-15(19)10-2-4-12(5-3-10)16-9-11-8-13(17)6-7-14(11)18/h2-8,16-18H,9H2,1H3
InChI Key:
QSFREBZMBNRGOK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)NCc1cc(O)ccc1O
NSC Number:
654705
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Metabolic alterations in K562 cells exposed to taxol and tyrphostin AG957: 1H NMR and biochemical studies. | Cell biology international 20051101 |
| The tyrosine kinase inhibitors imatinib and AG957 reverse multidrug resistance in a chronic myelogenous leukemia cell line. | Leukemia research 20050701 |
| Synthesis, 11C labeling and biological properties of derivatives of the tyrphostin AG957. | Nuclear medicine and biology 20050501 |
| Synthesis, structure-activity relationship, and p210(bcr-abl) protein tyrosine kinase activity of novel AG 957 analogs. | Bioorganic & medicinal chemistry 20050301 |
| Involvement of reactive oxygen species in adaphostin-induced cytotoxicity in human leukemia cells. | Blood 20031215 |
| Inhibition of fast sodium current in rabbit ventricular myocytes by protein tyrosine kinase inhibitors. | Pflugers Archiv : European journal of physiology 20030701 |
| Regulation of transient outward current in human atrial myocytes by protein tyrosine kinase pathway. | Journal of cardiovascular electrophysiology 20020901 |
| Abnormal growth factor modulation of beta1-integrin-mediated adhesion in chronic myelogenous leukaemia haematopoietic progenitors. | British journal of haematology 20011201 |
| Comparison of effects of the tyrosine kinase inhibitors AG957, AG490, and STI571 on BCR-ABL--expressing cells, demonstrating synergy between AG490 and STI571. | Blood 20010401 |
| BCR-ABL down-regulates the DNA repair protein DNA-PKcs. | Blood 20010401 |
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