CAS 14152-28-4 Pga1 (HCID 5281912)

概要

Prostaglandin A1 is a prostaglandins A. It is a conjugate acid of a prostaglandin A1(1-).

名称と識別子

優先名称: Pga1
IUPAC: 7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
現地名: プロスタグランジンA1
英語名: PROSTAGLANDIN A1
分子式: C20H32O4
分子量: 336.47

名称と別名

prostaglandin A114152-28-4PGA1VYR271N44PDTXSID6013473147-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acidCHEBI:155459-oxo-15S-hydroxy-10Z,13E-prostadienoic acid(13E,15S)-15-hydroxy-9-oxo-Prosta-10,13-dien-1-oic acid7-((1R,2S)-2-((E,3S)-3-hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl)heptanoic acidRefChem:869887DTXCID401776026

名称をさらに表示

プロスタグランジンA1プロスタグランジンE1-217(13E,15S)-15-ヒドロキシ-9-オキソプロスタ-10,13-ジエン-1-酸(13E,15S)-15-ヒドロキシ-9-オキソ-10,13-プロスタジエン-1-酸7-[(1R,2S)-2-[(1E,3S)-3-ヒドロキシオクタ-1-エン-1-イル]-5-オキソシクロペンタ-3-エン-1-イル]ヘプタン酸Prostaglandin AProstagladin E1C04685pga(sub1)pga(sup1)Prostagladin APROSTAGLANDINS A1prostaglandina(sup1)

Prosta-10,13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-Prostaglandin E1-217(13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid15a-Hydroxy-9-oxo-10,13E-prostadienoate3-Cyclopentene-1-heptanoic acid, 2-(3-hydroxy-1-octenyl)-5-oxo-15-hydroxy-9-oxoprosta-10,13-dienoic acid15a-Hydroxy-9-oxo-10,13E-prostadienoic acidPGA(sub 1)

データベース識別子

CAS: 14152-28-4
PubChem CID: 5281912
DTXSID: DTXSID601347314
ChEMBL: CHEMBL1084644
ChEBI: CHEBI:15545
UNII: VYR271N44P
EC Number: 682-017-9
Nikkaji: J15.628K

物性

構造計算による物性

XLogP: 4.4
極性表面積: 74.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 13
重原子数: 24
形式電荷: 0
複雑度: 439

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

融点: 43 °C · 43°C
沸点: 392.93 °C · 392.93°C (rough estimate)
比重(密度): 1.0192 · 1.0192 (rough estimate)
屈折率: 1.4434 · 1.4434 (estimate)
貯蔵温度: -20 °C · -20°C
溶解性: 10 mg/mL、透明 · アセトン: 10 mg/mL、透明
外見: 白い固体。
酸解離定数(Pka): 4.77 · 4.77±0.10(Predicted)
色: オフホワイト
由来生物: synthetic
BRN: 2003401 · 2003401
安定性: -20 °Cで最大1か月保存できます。 · DMSO溶液またはエタノール溶液で-20°Cで最大1か月保存できます。
InChI: 1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
InChIKey: BGKHCLZFGPIKKU-LDDQNKHRSA-N
SMILES: O=C1[C@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@H](CCCCC)O)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P264, P270, P280, P301+P316, P301+P317, P318, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (50%)

安全データ

F: 8-10
wgk: 3
rtecs: GY5977900
hs_code: 2937500000
safety_code: 22-24/25
Hazard Classifications: Acute Tox. 4 OralRepr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

Tissue LocationsPlatelet

Cellular LocationsExtracellular

応用分野 · 3 件

説明Prostaglandin A1 (PGA1) was first isolated as a dehydration product of the PGE1 compounds found in human semen. It has been shown to cause renal vasodilation, increased urine sodium excretion, and lowered arterial pressure in hypertensive patients. It also has growth-inhibitory activity on tumor cells; the IC50 value for the inhibition of human ovarian cancer is 7.5 μM.

使用Prostaglandin A1 has been shown to inhibit human immunodeficiency virus type 1 (HIV-1) replication in various cell types. In addition, as a precursor to the anti-inflammatory prostaglandins, it activates pro-inflammatory PGD2 receptor CRTH2 initiating the anti-inflammatory response.

一般的な説明Prostaglandin A1(PGA1) belongs to the class of cyclopentenone prostaglandin. PGA1 is generated by the dehydration of prostaglandin E1 (PGE1).