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1415716-58-3

1415716-58-3 Structure

1415716-58-3 Structure
IdentificationBack Directory
[Name]

TG6-10-1
[CAS]

1415716-58-3
[Synonyms]

CS-2074
TG6-10-1
TG6-10-1, >98%
(E)-N-(2-(2-(trifluoromethyl)-1H-indol-3-yl)ethyl) -3-(3,4,5-trimethoxyphenyl)acrylamide
2-Propenamide, N-[2-[2-(trifluoromethyl)-1H-indol-1-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)-, (2E)-
[Molecular Formula]

C23H23F3N2O4
[MDL Number]

MFCD29472234
[MOL File]

1415716-58-3.mol
[Molecular Weight]

448.43
Chemical PropertiesBack Directory
[Boiling point ]

631.8±55.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMF: 50 mg/ml; DMSO: 30 mg/ml; Ethanol: 5 mg/ml
[form ]

A crystalline solid
[pka]

13.84±0.46(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

TG6-10-1 is an EP2 antagonist, shows low-nanomolar antagonist activity against only EP2, >300-fold selectivity over human EP3, EP4, and IP receptors, 100-fold selectivity over EP1 receptors[1].
[Biological Activity]

Primary Target
EP2''Reversible: yes
[Synthesis]

3,4,5-TRIMETHOXYCINNAMIC ACID

20329-98-0

1H-Indole-1-ethanamine, 2-(trifluoromethyl)-

1415601-84-1

TG6-10-1

1415716-58-3

General procedure for the synthesis of (E)-N-(2-(2-(2-(trifluoromethyl)-1H-indol-1-yl)ethyl)-3-(3,4,5-trimethoxyphenyl)acrylamide (15d): Compound 13b (480 mg, 2.1 mmol) was dissolved in dichloromethane (10 mL) at room temperature, and sequentially added (E)-3-(3,4,5-trimethoxyphenyl ) acrylic acid (14a) (504 mg, 2.1 mmol), 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride (EDCI) (523 mg, 2.73 mmol) and N,N-dimethylaminopyridine (DMAP) (10 mg). The reaction mixture was stirred at room temperature for 8 hours. Upon completion of the reaction, the reaction was quenched with water (10 mL) and the product was extracted with ethyl acetate (20 mL × 3). The organic phases were combined and washed sequentially with 1% HCl (10 mL), saturated NaHCO3 solution (10 mL), water (20 mL), and brine (20 mL), then dried with anhydrous Na2SO4. After concentration under reduced pressure, the crude product was purified by silica gel column chromatography with the eluent being a hexane solution of 0-35% ethyl acetate to give the target product 15d (700 mg, 74% yield). The 1H NMR (CDCl3) data of product 15d: δ 7.59 (d, J = 8 Hz, 1H), 7.54 (d, J = 8.4 Hz, 1H), 7.50 (d, J = 15.2 Hz, 1H), 7.27 (q, J = 7.2 Hz, 1H), 7.1 (t, J = 7.2 Hz, 1H), 6.89 (s, 1H), 6.63 (s, 2H), 6.4 (t, J = 6 Hz, 1H), 6.25 (d, J = 15.2 Hz, 1H), 4.4 (t, J = 6.4 Hz, 1H), 3.8 (s, 3H), 3.76 (s, 6H), 3.69 (q, J = 6.4 Hz, 2H). lCMS (ESI) analysis: λ254 nm, MS purity > 95%; m /z 449 [M + H]+. Calculated elemental analysis (C23H23F3N2O4): C, 61.60; H, 5.17; N, 6.25; measured values: C, 61.34; H, 5.10; N, 6.16.

[in vivo]

TG6-10-1 (5 mg/kg; i.p.; 4-30 hours) improves survival, accelerates recovery of lost weight, and improves functional recovery following status epilepticus (SE) [1].

Animal Model:C57BL/6 mice (pilocarpine-induced SE)[1]
Dosage:5 mg/kg
Administration:Intraperitoneal injection; 4, 21, 30 hours
Result:A significant increase in survival and accelerating the recovery of lost weight in post-SE mice.
[storage]

Store at -20°C
[References]

[1] Jiang J, et al. Inhibition of the prostaglandin receptor EP2 following status epilepticus reduces delayed mortality and brain inflammation. Proc Natl Acad Sci U S A. 2013 Feb 26;110(9):3591-3596. DOI:10.1073/pnas.1218498110
[2] Kang X, et al. Cyclooxygenase-2 contributes to oxidopamine-mediated neuronal inflammation and injury via the prostaglandin E2 receptor EP2 subtype. Sci Rep. 2017 Aug 25;7(1):9459. DOI:10.1038/s41598-017-09528-z
Spectrum DetailBack Directory
[Spectrum Detail]

TG6-10-1(1415716-58-3)1HNMR
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