Embelin - Moligand™, 10mM in DMSO , Agonist of GPR84, CAS No.550-24-3, Agonist of GPR84

Name: Embelin - Moligand™, 10mM in DMSO , Agonist of GPR84, CAS No.550-24-3, Agonist of GPR84
Brand: Aladdin Scientific
SKU: E580383
Availability: InStock

CAS: 550-24-3 Cat. No.: E580383 分子式: C₁₇H₂₆O₄ 分子量: 294.39 EC番号: 208-979-8

COA

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Embelin - Moligand™, 10mM in DMSO CAS No(550-24-3) by Aladdin Scientific

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注文可能

グレード＆純度 Moligand™ ? 10mM in DMSO

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要仕様名前と識別子ドキュメント詳細データ Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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このグレードを選ぶ理由

Moligand™, 10mM in DMSO Moligand™ ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。

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保管・配送

Store at -80°C Dry ice packs + Cold packs に出荷。正確な仕様については、ロット固有の COA をご確認ください。

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品質書類

SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。

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文献的裏付け

クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。

概要

Embelin (Embelic acid), a potent, nonpeptidic XIAP inhibitor (IC50=4.1 μM), inhibits cell growth, induces apoptosis, and activates caspase-9 in prostate cancer cells with high levels of XIAP. Embelin blocks NF-kappaB signaling pathway leading to suppression of NF-kappaB-regulated antiapoptotic and metastatic gene products. Embelin also induces autophagic and apoptotic cell death in human oral squamous cell carcinoma cells.

仕様

同義語

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

Cell-permeable, non-peptide inhibitor of X-linked inhibitor of apoptosis (XIAP) (IC50= 4.1μM in competition binding assay with Smac peptide); binds to the BIR3 domain, preventing XIAP interaction with caspase-9 and Smac. Inhibits cell growth, induces apop

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of GPR84

名前と識別子

パブケム・シド

528771852

カノニカル・スマイル

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O

IUPAC Name

2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione

InChIKey

IRSFLDGTOHBADP-UHFFFAOYSA-N

INCHI

1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3

異性体SMILES

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O

WGKドイツ

分子量

294.39

Reaxy-Rn

1885786

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1885786&ln=

ドキュメント

📋 安全データシート（SDS）

危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。

<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3

✅ 分析証明書（COA）

ロット固有の品質データ。ロット番号を入力して、正確な COA を取得してください。

COA を検索 →

📊 データシート

製品仕様と用途のクイックリファレンス概要。

データシートを見る →

🔬 仕様書

このグレードの完全な品質特性と合格基準。

仕様書を見る →

詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - 分類 Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones
        Level7 Quinones
        Level8 Benzoquinones
        Level9 P-benzoquinones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
分類	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Cyclic ketones - Quinones - Benzoquinones
Direct Parent	P-benzoquinones
Alternative Parents	Vinylogous acids Enols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	P-benzoquinone - Vinylogous acid - Enol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
External Descriptors	hydroxybenzoquinone
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

関連ターゲット（人間）

GPR84 Tchem G-protein coupled receptor 84 (2 Activities)

Discover Target: GPR84

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTGES Tchem Prostaglandin E synthase (1 Activities)

Discover Target: PTGES

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MPEG1 Tchem Macrophage-expressed gene 1 protein (2 Activities)

Discover Target: MPEG1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALOX5 Tclin Arachidonate 5-lipoxygenase (3 Activities)

Discover Target: ALOX5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

XIAP Tchem E3 ubiquitin-protein ligase XIAP (1 Activities)

Discover Target: XIAP

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

XIAP Tchem Inhibitor of apoptosis protein 3 (3673 Activities)

Discover Target: XIAP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

5637 (630 Activities)

溶解度	Solvent:ethanol, Max Conc. mg/mL: 2.94, Max Conc. mM: 10 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 29.44, Max Conc. mM: 100
感度	Light Sensitive
分子量	294.400 g/mol
XLogP3	5.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	294.183 Da
Monoisotopic Mass	294.183 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	432.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Embelin - Moligand™, 10mM in DMSO , Agonist of GPR84, CAS No.550-24-3, Agonist of GPR84

保管・配送

品質書類

文献的裏付け

概要

仕様

ドキュメント

📋 安全データシート（SDS）

✅ 分析証明書（COA）

📊 データシート

🔬 仕様書

詳細データ

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