(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid
Grundinformationen
- CAS
221246-34-0- Standard-SMILES
O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O- InChIKey
CMLNDCUXASGBMQ-NQUQXYBYSA-N- Summenformel
- C24H31F3O5
- Durchschnittliche Molmasse
- 456,5 g/mol
- Monoisotopische Masse
- 456,21235857
Namen und Bezeichner
- Bevorzugter Name
- (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid
- IUPAC
- (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid
- Englischer Name
- 17-Trifluoromethylphenyl trinor prostaglandin f2alpha
- Summenformel
- C24H31F3O5
- Molmasse
- 456.5
Namen und Synonyme
CHEMBL287080(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid17-trifluoromethylphenyl trinor Prostaglandin F2|A(Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((S,E)-3-hydroxy-5-(3-(trifluoromethyl)phenyl)pent-1-en-1-yl)cyclopentyl)hept-5-enoic acidorb1692440SCHEMBL21924053DTXSID50849507HMS3648J22(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-Hydroxy-5-[3-(Trifluoromethyl)Phenyl]-1-Penten-1-Yl]Cyclopentyl]-5-Heptenoic AcidBDBM50090133AKOS040756133PD021072
Weitere Namen anzeigen
CMLNDCUXASGBMQ-NQUQXYBYSA-N17-trifluoromethylphenyl trinor Prostaglandin F2α17-Trifluoromethylphenyl trinor prostaglandin f2alpha9ALPHA,11ALPHA,15S-TRIHYDROXY-17-TRIFLUOROMETHYLPHENYL-18,19,20-TRINOR-PROSTA-5Z,13E-DIEN-1-OIC ACID5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]-1-penten-1-yl]cyclopentyl]-, (5Z)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 98 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 634
Physikochemische Eigenschaften
- Siedepunkt
- 593 · 593.0±50.0 °C(Predicted)
- Dichte
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 1 mg/ml
- pka
- 4.76 · 4.76±0.10(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungA number of 17-phenyl trinor prostaglandin F2α (17-phenyl trinor PGF2α) derivatives have been approved for the treatment of glaucoma. Of these, the unsubstituted or meta-substituted aromatic derivatives are the most potent FP receptor agonists. 17-trifluoromethylphenyl trinor PGF2α bears an aromatic ring which is reminiscent of the trifluoromethyl-phenoxy ring of travoprost ((+)-fluprostenol isopropyl ester). As an ocular hypotensive agent, it would be expected that 17-trifluoromethylphenyl trinor PGF2α would act very much like the free acid of travoprost. 17-phenyl trinor PGF2α is a potent luteolytic and abortifacient, with a potency equal to or greater than fluprostenol and cloprostenol.
Anbieter14 Anbieter
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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