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Mk-2894

CAS No.:
1006036-87-8
Catalog Number:
AG008TI1
Molecular Formula:
C25H22F3NO3S
Molecular Weight:
473.5073
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$340
- +
10mg
98%
1 week
United States
$533
- +
50mg
98%
1 week
United States
$1857
- +
Product Description
Catalog Number:
AG008TI1
Chemical Name:
Mk-2894
CAS Number:
1006036-87-8
Molecular Formula:
C25H22F3NO3S
Molecular Weight:
473.5073
MDL Number:
MFCD18251427
IUPAC Name:
4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid
InChI:
InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
InChI Key:
QJZQFVRFJCGDKF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C
Properties
Complexity:
725  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.127g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
473.51g/mol
Monoisotopic Mass:
473.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  
Literature
Title Journal
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
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
The utilization of recombinant prostanoid receptors to determine the affinities and selectivities of prostaglandins and related analogs. Biochimica et biophysica acta 20000117
Properties