프로스타글란딘J2

Pgj2

HCID 5280884CAS 60203-57-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O
InChIKey
UQOQENZZLBSFKO-POPPZSFYSA-N
분자식
C20H30O4
평균 분자량
334.4 g/mol
단동위원소 질량
334.21440943

이름 및 식별자

우선 이름
Pgj2
IUPAC
(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
현지명
프로스타글란딘J2
영어명
PROSTAGLANDIN J2
분자식
C20H30O4
분자량
334.45

이름 및 동의어

prostaglandin J2PGJ29-Deoxy-delta-9-prostaglandin D260203-57-89-Deoxy-delta-9-pgd2DTXSID4041105CHEBI:2748511-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acidProsta-5,9,13-trien-1-oic acid, 15-hydroxy-11-oxo-, (5Z,13E,15S)-(Z)-7-((1S,5R)-5-((E,3S)-3-hydroxyoct-1-enyl)-4-oxo-1-cyclopent-2-enyl)hept-5-enoic acid(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acidRefChem:928953
이름 더 보기
프로스타글란딘J2Aids058772Aids-058772Prostaglandin J2 (PGJ2)Prostaglandin J2 (Standard)Prostaglandin J2, PGD2 analog9-deoxy-delta-9-prostaglandind2Prostaglandin J2 Lipid Maps MS Standard
DTXCID2021105PGJ2 (Prostaglandin J2)(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acidCHEMBL1397260(5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oic acidProstaglandin J2 Lipid Maps(R) MS StandardSR-050000023308-epi-15-J2t-IsoP

데이터베이스 식별자

CAS
60203-57-8
PubChem CID
5280884
DTXSID
DTXSID4041105
ChEMBL
CHEMBL1397260
ChEBI
CHEBI:27485
Nikkaji
J39.531E

물성

구조 계산 물성

XLogP
3.6
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
12
무거운 원자 수
24

실험 및 물리화학적 성질

Physical DescriptionSolid
Collision Cross Section188.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

물리화학적 성질

끓는 점
521.7 · 521.7±50.0 °C(Predicted)
밀도
1.103 · 1.103±0.06 g/cm3(Predicted)
저장 조건
20 °C · −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: >2.7 mg/ml (from 15-deoxy-.DEL
산도 계수 (pKa)
4.75 · 4.75±0.10(Predicted)
물리적 상태
Liquid

안전 및 규제

안전 데이터

risk_code
20/21/22-36/37/38-67-66-36-11
hazard_code
Xn,Xi,F
safety_code
26-36-33-29-16

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Tissue LocationsNeuron；Platelet
Cellular LocationsExtracellular；Membrane
Metabolite Pathways · 1건

Acetaminophen Action Pathway；Acetylsalicylic Acid Action Pathway；Antipyrine Action Pathway；Antrafenine Action Pathway；Arachidonic Acid Metabolism；Bromfenac Action Pathway；Carprofen Action Pathway；Celecoxib Action Pathway；Diclofenac Action Pathway；Diflunisal Action Pathway；Total 41 pathways, visit the HMDB page for details

응용 분야 · 2건

개요Prostaglandin J2 (PGJ2) is formed from PGD2 by the elimination of the C-9 hydroxyl group, a process which is accelerated by the presence of albumin. PGJ2 inhibits platelet aggregation with an IC50 of about 5-10 nM. PGJ2 has antimitotic and antiproliferative effects on a variety of cultured normal cells and tumor cell lines. However, this activity has been attributed to further metabolites of PGJ2 and not the parent compound itself.

용도PGJ2 (Prostaglandin J2) is a Prostaglandin D2 metabolite that has shown potent anti-neoplastic and antiviral activity.

공급사17 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

추가 설명

정의ChEBI: A member of the class of prostaglandins J that consists of prosta-5,9,13-trien-1-oic acid substituted by an oxo group at position 11 and a hydroxy group at position 15 (the 5Z,13E,15S stereoisomer).

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