Name: Coumermycin A₁ - Moligand™, ≥97% , CAS No.4434-05-3
SKU: C332269
Availability: InStock

Coumermycin A₁ - Moligand™, ≥97% , CAS No.4434-05-3

CAS: 4434-05-3 Cat. No.: C332269 分子式: C₅₅H₅₉N₅O₂₀ 分子量: 1110.08 Beilstein Registry Number: 470805 EC番号: 636-952-4

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Coumermycin A₁ - Moligand™, ≥97% CAS No(4434-05-3) by Aladdin Scientific

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注文可能

GRADE & PURITY Moligand™ ? ≥97%

Synonyms

Coumermycin [USAN] | Cumamicina | HY-N7452 | [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[5-[[4-hydroxy-7-[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要 Specifications 名前と識別子 Documentation Advanced Data 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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Why this grade

Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Coumermycin A|1|, a cell permeable antibiotic, has been found to be a dimerizing agent that can activate a modified Raf-1 protein and stimulate the mitogen-activated protein kinase cascade. This compound has also been reported to induce autophosphorylation of GyrB-Janus Kinase (JAK) 2 fusion proteins, thus bypassing receptor activation. JAKs are cytoplasmic protein kinases that interact with intracellular domains of cytokine receptors which plays an important role in signal transduction. The activation of JAK is thought to induce cell proliferation. Studies suggest that Coumermycin A|1|can inhibit the supercoiling activity of gyrase by binding to the gyrase B subunit.

Specifications

同義語

仕様と純度

Moligand™, ≥97%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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

INHIBITOR

純度

≥97%

名前と識別子

カノニカル・スマイル	CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(C7=C(C(=C(C=C7)OC8C(C(C(C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)O
IUPAC Name	[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[5-[[4-hydroxy-7-[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
InChIKey	WTIJXIZOODAMJT-DHFGXMAYSA-N
INCHI	1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1
異性体SMILES	CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(C7=C(C(=C(C=C7)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)O
WGKドイツ	3
RTECS	UX9375000
分子量	1110.08
Beilstein	470805
Reaxy-Rn	470805
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=470805&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - 分類 Coumarins and derivatives
    - Subclass Coumarin glycosides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
分類	Coumarins and derivatives
Subclass	Coumarin glycosides
Intermediate Tree Nodes	Not available
Direct Parent	Coumarin glycosides
Alternative Parents	Phenolic glycosides 4-hydroxycoumarins O-glycosyl compounds 1-benzopyrans 2-heteroaryl carboxamides Pyrrole carboxamides Pyranones and derivatives Substituted pyrroles Benzenoids Dicarboxylic acids and derivatives Monosaccharides Oxanes Heteroaromatic compounds Vinylogous amides Vinylogous acids Secondary alcohols Lactones Carboxylic acid esters Secondary carboxylic acid amides Acetals Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin-7-o-glycoside - Coumarin o-glycoside - Phenolic glycoside - 4-hydroxycoumarin - Hydroxycoumarin - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - 2-heteroaryl carboxamide - Pyrrole-3-carboxamide - Pyrrole-2-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Pyranone - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Pyran - Benzenoid - Substituted pyrrole - Vinylogous amide - Pyrrole - Vinylogous acid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Acetal - Organopnictogen compound - Organonitrogen compound - Organic oxide - Alcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.
External Descriptors	glycoside - aromatic amide - pyrroles - coumarins - heteroarenecarboxylate ester
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

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レビュー

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溶解度	Soluble in DMSO (50 mg/ml).
屈折率	n20D1.68
分子量	1110.100 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	16
Exact Mass	1109.38 Da
Monoisotopic Mass	1109.38 Da
Topological Polar Surface Area	347.000 Å²
Heavy Atom Count	80
Formal Charge	0
Complexity	2440.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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