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145084-28-2 | Urea, N-[(3R)-2,3-dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)-
CAS No: 145084-28-2 Catalog No: AG001KJD MDL No:
Product Description
Catalog Number:
AG001KJD
Chemical Name:
Urea, N-[(3R)-2,3-dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)-
CAS Number:
145084-28-2
Molecular Formula:
C32H28N4O3
Molecular Weight:
516.5897
IUPAC Name:
1-(3-methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
InChI:
InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
InChI Key:
YCXFHPUBGMMWJQ-PMERELPUSA-N
SMILES:
Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2
UNII:
772CP7W12N
Properties
Complexity:
913
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
516.216g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
516.601g/mol
Monoisotopic Mass:
516.216g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Cell-type-specific CCK2 receptor signaling underlies the cholecystokinin-mediated selective excitation of hippocampal parvalbumin-positive fast-spiking basket cells. | The Journal of neuroscience : the official journal of the Society for Neuroscience 20110727 |
| Stimulatory effect of N-methyltyramine, a congener of beer, on pancreatic secretion in conscious rats. | Alcoholism, clinical and experimental research 20100201 |
| Signaling through cholesterol esterification: a new pathway for the cholecystokinin 2 receptor involved in cell growth and invasion. | Journal of lipid research 20091101 |
| Combination of sulindac and antimicrobial eradication of Helicobacter pylori prevents progression of gastric cancer in hypergastrinemic INS-GAS mice. | Cancer research 20091015 |
| The effect and mechanism of action of capsaicin on gastric acid output. | Journal of gastroenterology 20090101 |
| Hypergastrinemia increases gastric epithelial susceptibility to apoptosis. | Regulatory peptides 20080207 |
| Cell type-specific gating of perisomatic inhibition by cholecystokinin. | Nature neuroscience 20070901 |
| Necessity of intracellular cyclic AMP in inducing gastric acid secretion via muscarinic M3 and cholecystokinin2 receptors on parietal cells in isolated mouse stomach. | Life sciences 20050902 |
| Secretory organelles in ECL cells: effects of pharmacological blockade of the gastrin/CCK2 receptor versus its elimination by gene targeting. | Inflammopharmacology 20050101 |
| Gastrin-induced cyclooxygenase-2 expression in Barrett's carcinogenesis. | Clinical cancer research : an official journal of the American Association for Cancer Research 20040715 |
| Impaired gastric secretion and lack of trophic responses to hypergastrinemia in M3 muscarinic receptor knockout mice. | Gastroenterology 20031201 |
| Pharmacological analysis of CCK(2) receptor ligands using COS-7 and SK-N-MC cells, expressing the human CCK(2) receptor. | Regulatory peptides 20020115 |
| Effects of CCK2 receptor blockade on growth parameters in gastrointestinal tract and pancreas in rats. | Pharmacology & toxicology 20011001 |
| Proinflammatory role of leptin in experimental colitis in rats benefit of cholecystokinin-B antagonist and beta3-agonist. | Life sciences 20010622 |
| Characterization of the binding of a novel radioligand to CCKB/gastrin receptors in membranes from rat cerebral cortex. | British journal of pharmacology 19990301 |
| (3R)-N-(1-(tert-butylcarbonylmethyl)-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-(methylamino)phenyl)urea (YF476): a potent and orally active gastrin/CCK-B antagonist. | Journal of medicinal chemistry 19970131 |
| Pharmacological profile of (R)-1-[2,3-dihydro-1-(2'-methylphenacyl)-2-oxo- 5-phenyl-1H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea (YM022), a new potent and selective gastrin/cholecystokinin-B receptor antagonist, in vitro and in vivo. | The Journal of pharmacology and experimental therapeutics 19940501 |
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