Name: Name:Mk-2894
Brand: AABLOCKS
SKU: AA008TF9
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA008TF9

Chemical Name: Mk-2894

CAS Number: 1006036-87-8

Molecular Formula: C25H22F3NO3S

Molecular Weight: 473.5073

MDL Number: MFCD18251427

SMILES: OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C

Properties

Complexity: 725

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 33

Hydrogen Bond Acceptor Count: 7

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 5.9

Literature fold

Title: 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: Journal of medicinal chemistry20100311

Title: 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.

Journal: The Journal of pharmacology and experimental therapeutics20080501

Title: The utilization of recombinant prostanoid receptors to determine the affinities and selectivities of prostaglandins and related analogs.

Journal: Biochimica et biophysica acta20000117

Title: Blouin M, Han Y, Burch J, Farand J, Mellon C, Gaudreault M, Wrona M, Lévesque JF, Denis D, Mathieu MC, Stocco R, Vigneault E, Therien A, Clark P, Rowland S, Xu D, O'Neill G, Ducharme Y, Friesen R.The discovery of 4-{1-[({2,5-dimethyl-4--(trifluoromethyl)benzyl-3-thienyl}carbonyl)aminocyclopropyl}benzoic acid (MK-2894), a potent and selective prostaglandin E2 subtype 4 receptor antagonist.J Med Chem. 2010 Mar 11;53(5):2227-38.

Title: Tijana Markovič, et al. Structural features of subtype-selective EP receptor modulators. Drug Discov Today. 2017 Jan;22(1):57-71.

1006036-87-8 | Mk-2894