レガデノソン - モリガンド™, ≥98 , Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor, CAS No.313348-27-5, Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor

Name: レガデノソン - モリガンド™, ≥98 , Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor, CAS No.313348-27-5, Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor
Brand: Aladdin Scientific
SKU: R335710
Availability: InStock

CAS: 313348-27-5 Cat. No.: R335710 分子式: C₁₅H₁₈N₈O₅ 分子量: 390.35 EC番号: 690-885-5

COA

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レガデノソン - モリガンド™, ≥98 CAS No(313348-27-5) by Aladdin Scientific

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注文可能

グレード＆純度 Moligand™ ? ≥98%

Synonyms

(1-{9-[(4s,2r,3r,5r)-3,4-ジヒドロキシ-5-（ヒドロキシメチル）オキソラン-2-イル］-6-アミノプリン-2-イル｝ピラゾール-4-イル）-n-メチルカルボキサミド｜J-511375｜Tox21_303374｜2-［4-［（メチルアミノ）カルボニル］-1H-ピラゾール-1-イル］アデノシン｜AS-56292｜J-018384｜アデノシン、2-［4-［（メチルアミノ）ハ

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要仕様製品の性質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

モリガンド™, ≥98 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

20℃で保存アイスチェスト＋アイスパッドに出荷。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

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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

レガデノソンは心筋イメージングにおける選択的アデノシンA2A-R（A2Aアデノシン受容体）アゴニストである。

仕様

同義語

仕様と純度

モリガンド™, ≥98

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor

純度

≥98%

製品の性質

pKa

pKₐ: 13.07, pKₐ: 1.32

氣のデータ

Adenosine A2A-R: Ki= 290 nM (human); Adenosine A2A-R: Ki= 290 nM (rat); Adenosine A1-R: Ki>16.46 mM (human)

名前と識別子

パブケム・シド

504757872

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504757872

カノニカル・スマイル

CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N

IUPAC Name

1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide

InChIKey

LZPZPHGJDAGEJZ-AKAIJSEGSA-N

INCHI

1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1

異性体SMILES

CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N

代替CAS番号

875148-45-1

分子量

390.35

ドキュメント

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✅ 分析証明書（COA）

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📊 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。

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🔬 仕様書

このグレードの完全な品質特性と合格基準。

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詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - 分類 Purine nucleosides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
分類	Purine nucleosides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Purine nucleosides
Alternative Parents	Glycosylamines 6-aminopurines Pentoses Pyrazole-4-carboxamides Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organic oxides Primary amines Hydrocarbon derivatives Organopnictogen compounds Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Pyrazole-4-carboxamide - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Tetrahydrofuran - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Primary amine - Alcohol - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
External Descriptors	Not available
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）

ADORA2A Tclin Adenosine receptor A2a (1 Activities)

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

ADORA2B Tclin Adenosine receptor A2b (1 Activities)

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

ADORA1 Tclin Adenosine receptor A1 (1 Activities)

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

ADORA3 Tchem Adenosine receptor A3 (1 Activities)

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

F2 Tclin Thrombin (11687 Activities)

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

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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

GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

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

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

Discover Target: ADRA1A

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

OPRM1 Tclin Mu opioid receptor (19785 Activities)

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

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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

PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

Discover Target: PDE3A

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

HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

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

TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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

PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

Discover Target: PDE4A

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

ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

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

ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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

HRH3 Tclin Histamine H3 receptor (10389 Activities)

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

Homo sapiens (32628 Activities)

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レビュー

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Lot Number	Certificate Type	日付	商品
G2213167	Certificate of Analysis	Apr 03, 2025	R335710
G2213169	Certificate of Analysis	Apr 03, 2025	R335710
G2213170	Certificate of Analysis	Apr 03, 2025	R335710
G2213172	Certificate of Analysis	Apr 03, 2025	R335710

溶解度	Soluble in DMSO, and methanol.
屈折率	n20D1.90 (Predicted)
沸点（°C）	744.10° C (Predicted)
融点（°C）	194-196° C
分子量	390.350 g/mol
XLogP3	-1.500
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	390.14 Da
Monoisotopic Mass	390.14 Da
Topological Polar Surface Area	186.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	587.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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