Pga1 (HCID 5281912)｜Huagongshe

개요

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

이름 및 식별자

우선 이름: Pga1
IUPAC: 7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
영어명: PROSTAGLANDIN A1
분자식: C20H32O4
분자량: 336.47

이름 및 동의어

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

이름 더 보기

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)

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 13
무거운 원자 수: 24
형식 전하: 0
복잡도: 439

실험 및 물리화학적 성질

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

Physical DescriptionSolid

물리화학적 성질

녹는점: 43 °C · 43°C
끓는 점: 392.93 °C · 392.93°C (rough estimate)
밀도: 1.0192 · 1.0192 (rough estimate)
굴절률: 1.4434 · 1.4434 (estimate)
저장 조건: -20 °C · -20°C
용해도: 10 mg/mL, · 아세톤: 10mg/mL, 투명
물리적 상태: 백색 고체.
산도 계수 (pKa): 4.77 · 4.77±0.10(Predicted)
색상: 회백색
생물학적 소스: synthetic
BRN: 2003401 · 2003401
안정성: 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°C에서 최대 1개월 동안 보관할 수 있습니다.
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (50%)

안전 데이터

wgk: 3
rtecs: GY5977900
HS 번호: 2937500000
safety_code: 22-24/25
F 고인화성물질: 8-10
Hazard Classifications: Acute Tox. 4 OralRepr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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

응용 분야 · 3건

개요Prostaglandin 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.

용도Prostaglandin 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.

일반 설명Prostaglandin A1(PGA1) belongs to the class of cyclopentenone prostaglandin. PGA1 is generated by the dehydration of prostaglandin E1 (PGE1).