基本情報
- CAS
177020-26-7- 標準SMILES
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H](O)C[C@H]1O- InChIKey
PXGPLTODNUVGFL-HMALSPAFSA-N- 分子式
- C20H34O5
- 平均分子量
- 354.5 g/mol
- 単同位体質量
- 354.24062418
名称と識別子
- 優先名称
- 8-iso-PGF2beta
- IUPAC
- (Z)-7-[(1S,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
- 英語名
- 8-ISO prostaglandin F2BeTa
- 分子式
- C20H34O5
- 分子量
- 354.48
名称と別名
8-iso-PGF2beta177020-26-7(Z)-7-[(1S,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid8-iso Prostaglandin F2|A9R,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]8-isoprostaglandin PGF2beta8-iso PGF2beta8-iso-PGF2b8-iso-PGF(2beta)8-Isoprostaglandinf2beta8-isoprostaglandin PGF2b8-iso Prostaglandin F2??
名称をさらに表示
8-ISO-9BETA-PGF2ALPHA8-iso Prostaglandin F2β8-ISO prostaglandin F2BeTa9alpha,11alpha,15S-trihydroxy-(8beta)-prost-5Z,13E-dien-1-oic-acid9BETA,11ALPHA,15S-TRIHYDROXY-(8BETA)-PROSTA-5Z,13E-DIEN-1-OIC ACIDProsta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,8β,9β,11α,13E,15S)-
orb1693105PXGPLTODNUVGFL-HMALSPAFSA-NDTXSID401160411HMS3648B10LMFA03110006MFCD00216066AKOS040755655PD021317
データベース識別子
- CAS
177020-26-7- PubChem CID
- 5283216
- DTXSID
DTXSID401160411- Nikkaji
- J1.068.161H
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 98 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 5
- 回転可能結合数
- 12
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 432
実験および物理化学的性質
Physical DescriptionSolid
物理化学的性質
- 沸点
- 531 · 531.0±50.0 °C(Predicted)
- 比重(密度)
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- 溶解性
- 10 mM · 10 mM Na2CO3: >6.5 mg/ml (from PGF2a); DMF: >100 mg/ml (from PGF2a); DMSO: >100 mg/ml (from PGF2a); Ethanol: >100 mg/ml (from PGF2a); PBS pH 7.2: >10 mg/ml (from PGF2a)
- 酸解離定数(Pka)
- 4.76 · 4.76±0.10(Predicted)
化学と産業
薬理情報
Cellular LocationsExtracellular；Membrane
応用分野
説明8-iso Prostaglandin F2β (8-iso PGF2β) is an isomer of PGF2α with a non-enzymatic, non-cyclooxygenase origin. It is one of 64 possible isomers of PGF2α which can be produced by free radical peroxidation of arachidonic acid. 8-iso PGF2β exhibits very weak contraction of human umbilical vein artery and does not promote aggregation of human whole blood. However, 8-iso PGF2β moderately contracts both the canine and porcine pulmonary vein, although the effect is much weaker than that exhibited by other isoprostanes such as 8-iso PGE1, 8-iso PGE2, or 8-iso PGF2α
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化合物ノート
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