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340,000+ 研究の概要 · Triple ISO certified · COA & SDS すべての製品に適用 · 在庫品は当日出荷

1845年 - モリガンド™, ≥97 , CAS No.544478-19-5

CAS: 544478-19-5 Cat. No.: M336287 分子式: C21H22N2O6 分子量: 398.41
COA
1845年 - モリガンド™, ≥97 CAS No(544478-19-5) M336287 by Aladdin Scientific
注文可能
グレード＆純度 Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
Synonyms
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propynyl)-3,5-pyridinedicarboxylic acid ethyl, methyl ester | 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4H-pyridine-3,5-dicarboxylate | N-Propargylnitrendipene | SCHEMBL8226144 | MRS1
Storage
2～8℃で保存
Shipped In
濡れた氷
★
サイズ
USA
ドイツ (EU)*
価格
個数
1mg
M336287-1mg
3 在庫あり
—
$73.90
5mg
M336287-5mg
3 在庫あり
—
$177.90
25mg
M336287-25mg
2 在庫あり
—
$639.90
100mg
M336287-100mg
受注生産 · 8～12週間
$1,419.90
Enter a quantity for the sizes you want to add.
バルク / カスタム
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SDS
Safety data
COA
Certificate
DS
データシート
SP
仕様書
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

モリガンド™, ≥97 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。

🌡

保管・配送

2～8℃で保存 濡れた氷 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

MRS 1845は強力なカルシウムチャネル蛋白阻害剤であり、HL-60細胞の容量性Ca|2+|流入を阻害する（IC|50|= 1.7 mM）。

仕様

同義語
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propynyl)-3,5-pyridinedicarboxylic acid ethyl, methyl ester | 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4H-pyridine-3,5-dicarboxylate | N-Propargylnitrendipene | SCHEMBL8226144 | MRS1
仕様と純度
モリガンド™, ≥97
保管条件
2～8℃で保存
入荷
濡れた氷
等級
Moligand™
アクションタイプ
INHIBITOR
純度
≥97%
名前と識別子
パブケム・シド
528765561
カノニカル・スマイル
CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CC#C)C
IUPAC Name
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4H-pyridine-3,5-dicarboxylate
InChIKey
BITHABUTZRAUGT-UHFFFAOYSA-N
INCHI
1S/C21H22N2O6/c1-6-11-22-13(3)17(20(24)28-5)19(18(14(22)4)21(25)29-7-2)15-9-8-10-16(12-15)23(26)27/h1,8-10,12,19H,7,11H2,2-5H3
異性体SMILES
CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CC#C)C
分子量
398.41
Reaxy-Rn
9436738
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9436738&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。

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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。

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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Pyridines and derivatives
SubclassHydropyridines
Intermediate Tree Nodes Dihydropyridines
Direct ParentDihydropyridinecarboxylic acids and derivatives
Alternative Parents Nitrobenzenes  Nitroaromatic compounds  Dicarboxylic acids and derivatives  Vinylogous amides  Methyl esters  Enoate esters  Trialkylamines  Amino acids and derivatives  Organic oxoazanium compounds  Enamines  Acetylides  Azacyclic compounds  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Enamine - Allyl-type 1,3-dipolar organic compound - Acetylide - Organic oxoazanium - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Organic zwitterion - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





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作用メカニズム
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate Type日付商品
H2527387H2527387Certificate of AnalysisMay 10, 2025 M336287
H2527396H2527396Certificate of AnalysisMay 10, 2025 M336287
H2527404H2527404Certificate of AnalysisMay 10, 2025 M336287
H2527405H2527405Certificate of AnalysisMay 10, 2025 M336287
化学的性質と物理的性質
溶解度Soluble to 10 mM in Ethanol and to 10 mM in DMSO
分子量398.400 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass398.148 Da
Monoisotopic Mass398.148 Da
Topological Polar Surface Area102.000 Ų
Heavy Atom Count29
Formal Charge0
Complexity798.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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