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Cj-42794

CAS No.:
847728-01-2
Catalog Number:
AG004RRJ
Molecular Formula:
C22H17ClFNO4
Molecular Weight:
413.8261
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$140
- +
50mg
99%
1 week
United States
$340
- +
100mg
99%
1 week
United States
$557
- +
Product Description
Catalog Number:
AG004RRJ
Chemical Name:
Cj-42794
CAS Number:
847728-01-2
Molecular Formula:
C22H17ClFNO4
Molecular Weight:
413.8261
MDL Number:
MFCD13184815
IUPAC Name:
4-[(1S)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid
InChI:
InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
InChI Key:
MWBNCZHVEXULBD-ZDUSSCGKSA-N
SMILES:
Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F
Properties
Complexity:
561  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
413.083g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
413.829g/mol
Monoisotopic Mass:
413.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
A prostaglandin E (PGE) receptor EP4 antagonist protects natural killer cells from PGE(2)-mediated immunosuppression and inhibits breast cancer metastasis. Oncoimmunology 20130101
Synthesis, pharmacophore modeling and in vitro activity of 10,11-dihydrodibenzo[b,f]oxepine-4-carboxamide derivatives as novel and potent antagonists of the prostaglandin EP4 receptor. Bioorganic & medicinal chemistry letters 20111101
Prostaglandin E₂ signaling and bacterial infection recruit tumor-promoting macrophages to mouse gastric tumors. Gastroenterology 20110201
Discovery of 4-[1-[([1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl]carbonyl)amino]cyclopropyl]benzoic acid (MF-766), a highly potent and selective EP4 antagonist for treating inflammatory pain. Bioorganic & medicinal chemistry letters 20100615
The discovery of 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid (MK-2894), a potent and selective prostaglandin E2 subtype 4 receptor antagonist. Journal of medicinal chemistry 20100311
Effect of prostanoid EP4 receptor antagonist, CJ-042,794, in rat models of pain and inflammation. European journal of pharmacology 20080202
In vitro pharmacological characterization of CJ-042794, a novel, potent, and selective prostaglandin EP(4) receptor antagonist. Life sciences 20080116
Cyclooxygenase-2/prostaglandin E2 accelerates the healing of gastric ulcers via EP4 receptors. American journal of physiology. Gastrointestinal and liver physiology 20071001
Effect of (S)-4-(1-(5-chloro-2-(4-fluorophenyoxy)benzamido)ethyl) benzoic acid (CJ-42794), a selective antagonist of prostaglandin E receptor subtype 4, on ulcerogenic and healing responses in rat gastrointestinal mucosa. The Journal of pharmacology and experimental therapeutics 20070901
Properties