CAS Number1078166-57-0
Synonyms1-(4-Fluorobenzoyl)-3-{[(6-methoxy-2-naphthyl)oxy]methyl}-3-azetidinecarboxylic acid; pf-04418948; unii-i7z38e70vf
Molecular FormulaC23H20FNO5
Molecular Weight409.41
Purity≥98 (HPLC)%
Density1.4±0.1 g/cm3
Boiling Point639.1±55.0 °C at 760 mmHg
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1078166-57-0 |
| Catalog No. | 2A-1196461 |
| Chinese Name | PF-04418948 |
| Synonyms | 1-(4-Fluorobenzoyl)-3-{[(6-methoxy-2-naphthyl)oxy]methyl}-3-azetidinecarboxylic acid; pf-04418948; unii-i7z38e70vf |
| Molecular Formula | C23H20FNO5 |
| Molecular Weight | 409.41 |
| Purity | ≥98 (HPLC) |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 639.1±55.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | PF-04418948 is a new and potent selective prostaglandin EP2 receptor antagonist with an IC50 of 16 nM, which is more than 2000 times more selective than for EP1, EP3, EP4, DP1 and CRTH2 receptors. |
| PubChem ID | 56438506 |
| SMILES | Fc1ccc(cc1)C(=O)N2CC(C2)(COc3cc4c(cc(cc4)OC)cc3)C(=O)O |
| InChI | 1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28) |
| InChI Key | LWJGMYMNSNVCEM-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| Bioactivity | PF-04418948 is a novel, potent and selective prostaglandin EP2 receptor antagonist with IC50 of 16 nM, displays >2000-fold functional selectivity for the human EP2 receptor over antagonist activity against the human EP1, EP3, EP4, DP1 and CRTH2 receptors.IC50 value: 16 nMTarget: EP2in vitro: PF-04418948 inhibits prostaglandin E2 (PGE2)-induced increase in cAMP in cells expressing EP2 receptors with a functional KB value of 1.8 nM. In human myometrium, PF-04418948 produced a parallel, rightward shift of the butaprost-induced inhibition of the contractions induced by electrical field stimulation with an apparent KB of 5.4 nM. [1]in vivo: In dog bronchiole and mouse trachea, PF-04418948 produced parallel rightward shifts of the PGE2-induced relaxation curve with a KB of 2.5 nM and an apparent KB of 1.3 nM respectively. Reversal of the PGE2-induced relaxation in the mouse trachea by PF-04418948 produced an IC50 value of 2.7 nM. Given orally, PF-04418948 attenuated the butaprost-induced cutaneous blood flow response in rats. [1] PF-04418948 competitively inhibits relaxations of murine and guinea pig trachea induced by ONO-AE1-259 and PGE2 respectively.[2] Related Catalog Signaling Pathways >> GPCR/G Protein >> Prostaglandin Receptor Research Areas >> Cancer References [1]. af Forselles KJ, et al. In vitro and in vivo characterization of PF-04418948, a novel, potent and selective prostaglandin EP2 receptor antagonist. Br J Pharmacol. 2011 Dec;164(7):1847-1856. [2]. Birrell MA, et al. Selectivity profiling of the novel EP2 receptor antagonist, PF-04418948, in functional bioassay systems: atypical affinity at the guinea pig EP2 receptor. Br J Pharmacol. 2013 Jan;168(1):129-138. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 639.1±55.0 °C at 760 mmHg Molecular Formula C23H20FNO5 Molecular Weight 409.407 Flash Point 340.3±31.5 °C Exact Mass 409.132538 PSA 76.07000 LogP 3.08 Vapour Pressure 0.0±2.0 mmHg at 25°C Index of Refraction 1.639 InChIKey LWJGMYMNSNVCEM-UHFFFAOYSA-N SMILES COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1 Storage condition -20℃ |
| Use of | Properties Name 1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid Synonym More Synonyms PF 04418948 Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Prostaglandin Receptor Research Areas >> Cancer References [1]. af Forselles KJ, et al. In vitro and in vivo characterization of PF-04418948, a novel, potent and selective prostaglandin EP2 receptor antagonist. Br J Pharmacol. 2011 Dec;164(7):1847-1856. [2]. Birrell MA, et al. Selectivity profiling of the novel EP2 receptor antagonist, PF-04418948, in functional bioassay systems: atypical affinity at the guinea pig EP2 receptor. Br J Pharmacol. 2013 Jan;168(1):129-138. Chemical & Physical Properties Molecular Formula C23H20FNO5 Exact Mass 409.132538 PSA 76.07000 Index of Refraction 1.639 InChIKey LWJGMYMNSNVCEM-UHFFFAOYSA-N Storage condition -20℃ |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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