(5Z,13E,15S)-15-ヒドロキシ-11-オキソプロスタ-5,9,13-トリエン-1-酸

Pgj2

HCID 5280884
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基本情報

CAS
60203-57-8
標準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
分子式
C20H30O4
平均分子量
334.4 g/mol
単同位体質量
334.21440943

名称と識別子

優先名称
Pgj2
IUPAC
(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
現地名
(5Z,13E,15S)-15-ヒドロキシ-11-オキソプロスタ-5,9,13-トリエン-1-酸
英語名
PROSTAGLANDIN J2
分子式
C20H30O4
分子量
334.45

名称と別名

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
名称をさらに表示
(5Z,13E,15S)-15-ヒドロキシ-11-オキソプロスタ-5,9,13-トリエン-1-酸プロスタグランジンJ2プロスタグランジンJ2溶液 (5MG/ML酢酸メチル溶液)(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-ヒドロキシオクタ-1-エン-1-イル]-4-オキソシクロペンタ-2-エン-1-イル]ヘプタ-5-エン酸Aids058772Aids-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

データベース識別子

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

物性

構造計算による物性

XLogP
3.6
極性表面積
74.6 Ų
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
12
重原子数
24

実験および物理化学的性質

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

物理化学的性質

沸点
521.7 · 521.7±50.0 °C(Predicted)
比重(密度)
1.103 · 1.103±0.06 g/cm3(Predicted)
貯蔵温度
20 °C · −20°C
溶解性
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
酸解離定数(Pka)
4.75 · 4.75±0.10(Predicted)
外見
Liquid

安全と法規制

安全データ

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

化学と産業

薬理情報

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

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

応用分野 · 3 件

用途薬理・生理作用研究用。

説明Prostaglandin 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.

使用PGJ2 (Prostaglandin J2) is a Prostaglandin D2 metabolite that has shown potent anti-neoplastic and antiviral activity.

サプライヤー17 社

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]

補足説明

定義ChEBI: 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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