Basic information
- CAS
1006036-87-8- Standard SMILES
Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1- InChIKey
QJZQFVRFJCGDKF-UHFFFAOYSA-N- Molecular formula
- C25H22F3NO3S
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.12724922
Names & identifiers
- Preferred name
- MK-2894
- IUPAC
- 4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid
- English name
- 4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid
- Molecular formula
- C25H22F3NO3S
- Molecular weight
- 473.51
Names & synonyms
MK-28944-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acidMK 2894MK2894DTXSID606480634-{1-[(2,5-Dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}thiophene-3-carbonyl)amino]cyclopropyl}benzoic acid4-(1-((2,5-Dimethyl-4-((4-(trifluoromethyl)phenyl)methyl)thiophene-3-carbonyl)amino)cyclopropyl)benzoic acidRefChem:159193DTXCID205988131006036-87-8CID 24952929CHEMBL597997
Show more names
Benzoic acid, 4-[1-[[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]-
4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acidC25H22F3NO3S4-(1-(((2,5-Dimethyl-4-((4-(trifluoromethyl)phenyl)methyl)-3-thienyl)carbonyl)amino)cyclopropyl)benzoic acidCS-0679GTPL4041orb1709116SCHEMBL2351863
Database identifiers
- CAS
1006036-87-8- PubChem CID
- 24952929
- DTXSID
DTXSID60648063- ChEMBL
CHEMBL597997- Nikkaji
- J2.851.003I
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- Melting point
- 254 · 254-256℃
- Boiling point
- 569.4 · 569.4±50.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Powder
- pka
- 4.35 · 4.35±0.10(Predicted)
- color
- White to light brown
Chemistry & industry
Applications
UsesMK-2894 is a potent, selective, orally active and high affinity (Ki=0.56 nM) full antagonist against E prostanoid receptor 4 (EP4 receptor) (IC50=2.5 nM). MK-2894 possesses potent anti-inflammatory activity in animal models of pain/inflammation and can be used for the research of arthritis[1][2].
Suppliers28 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Aladdin Scientific[email protected]
InvivoChem中国13549236410 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
四川义研药物研究有限公司19949968070; 19949968070 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
Musechem+1-800-259-7612 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
苏州宸瑞生物科技有限公司17625585511 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
Related reactions
2 records
Compound notes
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