CID 71433629
基本情報
- CAS
221246-34-0- 標準SMILES
CC[C@H]1[CH]C[C@@H](O)[C@@H]1C=C[C@@H](O)CCc1cccc(C(F)(F)F)c1- InChIKey
GWHOWGVJOVWBFN-DZJNRPSUSA-N- 分子式
- C19H24F3O2
- 平均分子量
- 341.4 g/mol
- 単同位体質量
- 341.17283949
名称と識別子
- 優先名称
- CID 71433629
- IUPAC
- (2R,3S,4R)-2-Ethyl-4-hydroxy-3-{(3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-en-1-yl}cyclopentyl
- 英語名
- 17-Trifluoromethylphenyl trinor prostaglandin f2alpha
- 分子式
- C24H31F3O5
- 分子量
- 456.5
名称と別名
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 ACID(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 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)-
データベース識別子
- CAS
221246-34-0- PubChem CID
- 71433629
- DTXSID
DTXSID50849507
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 40.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 408
物理化学的性質
- 沸点
- 593 · 593.0±50.0 °C(Predicted)
- 比重(密度)
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 1 mg/ml
- 酸解離定数(Pka)
- 4.76 · 4.76±0.10(Predicted)
化学と産業
応用分野
説明A 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.
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…