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244101-03-9 | (2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[5-chloro-2-(2-naphthalenylmethyl)phenyl]-2-propenamide
CAS No: 244101-03-9 Catalog No: AG01EPXG MDL No:
Product Description
Catalog Number:
AG01EPXG
Chemical Name:
(2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[5-chloro-2-(2-naphthalenylmethyl)phenyl]-2-propenamide
CAS Number:
244101-03-9
Molecular Formula:
C27H21BrClNO4S
Molecular Weight:
570.8819
IUPAC Name:
(E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide
InChI:
InChI=1S/C27H21BrClNO4S/c1-34-25-12-10-23(28)17-26(25)35(32,33)30-27(31)13-9-22-16-24(29)11-8-21(22)15-18-6-7-19-4-2-3-5-20(19)14-18/h2-14,16-17H,15H2,1H3,(H,30,31)/b13-9+
InChI Key:
DYXFUJYHEDGCLS-UKTHLTGXSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1cc(Cl)ccc1Cc1ccc2c(c1)cccc2)Br
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
569.006g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
570.882g/mol
Monoisotopic Mass:
569.006g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
Literature
| Title | Journal |
|---|---|
| Differential reactivity of human mammary artery and saphenous vein to prostaglandin E(2) : implication for cardiovascular grafts. | British journal of pharmacology 20110601 |
| Roles of affinity and lipophilicity in the slow kinetics of prostanoid receptor antagonists on isolated smooth muscle preparations. | British journal of pharmacology 20110201 |
| Prostaglandins of the E series inhibit monoamine release via EP3 receptors: proof with the competitive EP3 receptor antagonist L-826,266. | Naunyn-Schmiedeberg's archives of pharmacology 20100101 |
| MF498 [N-{[4-(5,9-Diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide], a selective E prostanoid receptor 4 antagonist, relieves joint inflammation and pain in rodent models of rheumatoid and osteoarthritis. | The Journal of pharmacology and experimental therapeutics 20080501 |
| Prostaglandin E2 glycerol ester, an endogenous COX-2 metabolite of 2-arachidonoylglycerol, induces hyperalgesia and modulates NFkappaB activity. | British journal of pharmacology 20080401 |
| Intraplantar PGE2 causes nociceptive behaviour and mechanical allodynia: the role of prostanoid E receptors and protein kinases. | British journal of pharmacology 20070301 |
| Pharmacological and molecular characterization of the mechanisms involved in prostaglandin E2-induced mouse paw edema. | The Journal of pharmacology and experimental therapeutics 20060801 |
| Role of periaqueductal grey prostaglandin receptors in formalin-induced hyperalgesia. | European journal of pharmacology 20060113 |
| Structure-activity relationship of cinnamic acylsulfonamide analogues on the human EP3 prostanoid receptor. | Bioorganic & medicinal chemistry 20010801 |
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