(13E,15S)-11α,15-ジヒドロキシ-6,9-ジオキソプロスタ-13-エン-1-酸

6-Keto-PGE1

HCID 5280889

基本情報

CAS: 67786-53-2
標準SMILES: CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O
InChIKey: ROUDCKODIMKLNO-CTBSXBMHSA-N
分子式: C20H32O6
平均分子量: 368.5 g/mol
単同位体質量: 368.21988874

概要

6-oxoprostaglandin E1 is a prostaglandin E that is prostaglandin E1 bearing a keto substituent at the 6-position. It has a role as a metabolite and a platelet aggregation inhibitor. It is functionally related to a prostaglandin E1. It is a conjugate acid of a 6-oxoprostaglandin E1(1-).

名称と識別子

優先名称: 6-Keto-PGE1
IUPAC: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoic acid
現地名: (13E,15S)-11α,15-ジヒドロキシ-6,9-ジオキソプロスタ-13-エン-1-酸
英語名: 6,9-Dioxo-11alpha,15s-dihydroxy-prost-13e-en-1-oic acid
分子式: C20H32O6
分子量: 368.46

名称と別名

6-ketoprostaglandin E16-Keto-PGE167786-53-26-Oxoprostaglandin E16-Oxo-PGE16-Keto-prostaglandin E1CHEBI:28269DTXSID701318279RefChem:104892DTXCID1017480946-keto Prostaglandin E16-keto PGE1

名称をさらに表示

(13E,15S)-11α,15-ジヒドロキシ-6,9-ジオキソプロスタ-13-エン-1-酸6-ケトPGE16-ケトプロスタグランジンE16-ケト-プロスタグランジンE17-[(1R,2R,3R)-3-ヒドロキシ-2-[(1E,3S)-3-ヒドロキシオクタ-1-エン-1-イル]-5-オキソシクロペンチル]-6-オキソヘプタン酸ROUDCKODIMKLNO-CTBSXBMHSA-N6-keto Prostaglandin E1 MaxSpecStandard6-keto Prostaglandin E1 Lipid Maps MS Standard6,9-dioxo-11α,15S-dihydroxy-prost-13E-en-1-oic acid6,9-Dioxo-11alpha,15s-dihydroxy-prost-13e-en-1-oic acid(13E,15S)-11α,15-Dihydroxy-6,9-dioxoprost-13-en-1-oic acid[11α,13E,15S]-11,15-Dihydroxy-6,9-dioxoprosta-13-en-1-oic acid

6-oxo-prostaglandin E16,9-dioxo-11R,15S-dihydroxy-13E-prostenoic acid6-KPGE17-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoic acid(13E,15S)-11alpha,15-dihydroxy-6,9-dioxoprost-13-en-1-oic acid6-keto PGE1; 6,9-dioxo-11|A,15S-dihydroxy-prost-13E-en-1-oic acidProstaglandin E1, 6-oxoCHEMBL138482

データベース識別子

CAS: 67786-53-2
PubChem CID: 5280889
DTXSID: DTXSID701318279
ChEMBL: CHEMBL138482
ChEBI: CHEBI:28269
EC Number: 688-563-4
Nikkaji: J428.385F

物性

構造計算による物性

XLogP: 1.2
極性表面積: 112 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 13
重原子数: 26
形式電荷: 0
複雑度: 499

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]

Physical DescriptionSolid

物理化学的性質

貯蔵温度: 20 °C · −20°C
溶解性: 50 mg/ml · Ethanol: >50 mg/ml (from PGE1); DMF: >100 mg/ml (from PGE1); DMSO: >50 mg/ml (from PGE1); PBS pH 7.2: >1.6 mg/ml (from PGE1)
外見: Liquid
色: Colorless to light yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全データ

risk_code: 25
hazard_code: T
safety_code: 45

化学と産業

薬理情報

MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.

Cellular LocationsExtracellular

Metabolite PathwaysAcetaminophen Action Pathway

応用分野

使用6-Keto-PGE1 is a metabolite of prostacyclin(P839060). Prostacyclin is an Eicosanoid which prevents the formation of platelet plugs and is an effective vasodilator.

サプライヤー8 社

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]

上海源叶生物科技有限公司13636370518 · [email protected]

深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]

補足説明

定義ChEBI: A prostaglandin E that is prostaglandin E1 bearing a keto substituent at the 6-position.

化合物ノート

読み込み中…