Pgd1

HCID 5280936CAS 17968-82-0

기본 정보

표준 SMILES: CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O
InChIKey: CIMMACURCPXICP-PNQRDDRVSA-N
분자식: C20H34O5
평균 분자량: 354.5 g/mol
단동위원소 질량: 354.24062419

개요

Prostaglandin D1 is a prostaglandins D. It has a role as a human metabolite. It is a conjugate acid of a prostaglandin D1(1-).

이름 및 식별자

우선 이름: Pgd1
IUPAC: 7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoic acid
영어명: 9alpha,15S-dihydroxy-11-oxo-prost-13e-en-1-oic acid
분자식: C20H34O5
분자량: 354.48

이름 및 동의어

Prostaglandin D1PGD117968-82-0FOT50Z88GW9S,15S-dihydroxy-11-oxo-13E-prostaenoic acid5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acidCyclopentaneheptanoic acid, 5-hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoic acidCHEBI:27696DTXSID808648097-((1R,2R,5S)-5-hydroxy-2-((E,3S)-3-hydroxyoct-1-enyl)-3-oxocyclopentyl)heptanoic acidRefChem:928950

이름 더 보기

C0643811-DehydroPGF1αCIMMACURCPXICP-PNQRDDRVSA-N11-Dehydroprostaglandin F1α(13E,15S)-9α,15-Dihydroxy-11-oxoprost-13-en-1-oic acidProst-13-en-1-oic acid, 9,15-dihydroxy-11-oxo-, (9α,13E,15S)-9,15-dihydroxy-11-oxo-,(9-alpha,13e,15s)-prost-13-en-1-oicaci

DTXCID1014771289alpha,15S-dihydroxy-11-oxo-prost-13E-en-1-oic acidCHEMBL2075005(13E,15S)-9alpha,15-dihydroxy-11-oxoprost-13-en-1-oic acid2-Hydroxy-5-(3S-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acid7-((1R,2R,5S)-5-Hydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl)-3-oxocyclopentyl)heptanoic acidBRN 2159831(13E,15S)-9alpha,15-dihydroxy-11-oxoprost-13-en-1-oate

데이터베이스 식별자

CAS: 17968-82-0
PubChem CID: 5280936
DTXSID: DTXSID80864809
ChEMBL: CHEMBL2075005
ChEBI: CHEBI:27696
UNII: FOT50Z88GW
Nikkaji: J14.895D

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 94.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 13
무거운 원자 수: 25
형식 전하: 0
복잡도: 432

실험 및 물리화학적 성질

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

LogP3.172

Physical DescriptionSolid

Collision Cross Section186.6 Å² [M-2H2O-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

물리화학적 성질

녹는점: 64.5 · 64.5-65.5 °C
끓는 점: 544.6 · 544.6±50.0 °C(Predicted)
밀도: 1.131 · 1.131±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 100 mg/ml · DMF: >100 mg/ml (from PGD2); DMSO: >50 mg/ml (from PGD2); Ethanol: >75 mg/ml (from PGD2); PBS pH 7.2: >5 mg/ml (from PGD2)
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)

안전 및 규제

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225

화학 및 산업

약리 정보

Cellular LocationsExtracellular

응용 분야

개요Prostaglandin D1 (PGD1) is the 1-series analog of PGD2 . It is an inhibitor of ADP-induced platelet aggregation in humans with an IC50 value of 320 ng/ml, about 1/10 as potent as PGD2.

용도Prostaglandin D1 is used in pharmalogical and in functional characterization of novel EP & DP receptor agonist: DPI receptor mediates penile erection in multiple species.

공급사15 곳

济南百隆化学有限公司[email protected] · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

成都梓永智研生物科技有限公司17780686372 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

연결된 노트

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