프로스타글란딘F1ALPHA

PGF1alpha

HCID 5280939CAS 745-62-0

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기본 정보

표준 SMILES: CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O
InChIKey: DZUXGQBLFALXCR-CDIPTNKSSA-N
분자식: C20H36O5
평균 분자량: 356.5 g/mol
단동위원소 질량: 356.25627424

이름 및 식별자

우선 이름: PGF1alpha
IUPAC: 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid
현지명: 프로스타글란딘F1ALPHA
영어명: PROSTAGLANDIN F1ALPHA
분자식: C20H36O5
분자량: 356.5

이름 및 동의어

Prostaglandin f1alpha745-62-0Prostaglandin F1PGF1alphaPGF 1-alphaProstaglandin f1-alphaPGF1WJ72O6860W9S,11R,15S-trihydroxy-13E-prostaenoic acid7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acidCHEBI:28852Cyclopentaneheptanoic acid, 3,5-dihydroxy-2-(3-hydroxy-1-octenyl)-

이름 더 보기

프로스타글란딘F1ALPHAPGF1αPGF1αC06475protaglandinf1prostaglandinf1Prostaglandin F1α

Prost-13-en-1-oic acid, 9,11,15-trihydroxy-, (9-alpha,11-alpha,13E,15S)(13E,15S)-9alpha,11alpha-9,11,15-Trihydroxyprost-13-en-1-oic acidPGF1 alpha7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoic acid7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((E,3S)-3-hydroxyoct-1-enyl)cyclopentyl)heptanoic acid7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3S)-3-hydroxyoct-1-en-1-yl)cyclopentyl)heptanoic acidRefChem:928952prostaglandin F1a

데이터베이스 식별자

CAS: 745-62-0
PubChem CID: 5280939
DTXSID: DTXSID901339475
ChEMBL: CHEMBL1325783
ChEBI: CHEBI:28852
UNII: WJ72O6860W
Nikkaji: J14.832F

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 98 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 5
회전 가능 결합 수: 13
무거운 원자 수: 25
형식 전하: 0
복잡도: 396

물리화학적 성질

녹는점: 102.5 °C · 102.5°C
끓는 점: 409.31 °C · 409.31°C (rough estimate)
밀도: 1.0321 · 1.0321 (rough estimate)
굴절률: 1.612 · 1.6120 (estimate)
저장 조건: -20 °C · -20°C
용해도: 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS pH 7.2: 2 mg/ml
물리적 상태: 결정성 고체
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
색상: White to off-white
BRN: 2704846 · 2704846
InChI: 1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey: DZUXGQBLFALXCR-CDIPTNKSSA-N
SMILES: O[C@@H]1[C@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@H](CCCCC)O)[C@H](O)C1

안전 및 규제

안전 데이터

wgk: 3
rtecs: GY4569700
safety_code: 22-24/25
F 고인화성물질: 8-10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도PGF1alpha (Prostaglandin F1alpha) is a smooth muscle relaxant and a stable metabolite of prostacyclin (PGI2).

일반 설명Prostaglandins (PGs) contain prostanoic acid. They are divided as PGA, PGB, PGC, PGD, PGE and PGF groups. They all contain a five-member ring structure differing in their functions. PGF is known to be more soluble in phosphate buffer. PGF1α is a serum eicosanoid.