Name: AZD7545 - Moligand™, 10mM in DMSO , Inhibitor of pyruvate dehydrogenase kinase 1;Inhibitor of pyruvate dehydrogenase kinase 2, CAS No.252017-04-2, Inhibitor of pyruvate dehydrogenase kinase 1;Inhibitor of pyruvate dehydrogenase kinase 2
SKU: A422872
Availability: InStock

AZD7545 - Moligand™, 10mM in DMSO , Inhibitor of pyruvate dehydrogenase kinase 1;Inhibitor of pyruvate dehydrogenase kinase 2, CAS No.252017-04-2, Inhibitor of pyruvate dehydrogenase kinase 1;Inhibitor of pyruvate dehydrogenase kinase 2

CAS: 252017-04-2 Cat. No.: A422872 分子式: C₁₉H₁₈ClF₃N₂O₅S 分子量: 478.87

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AZD7545 - Moligand™, 10mM in DMSO CAS No(252017-04-2) by Aladdin Scientific

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注文可能

GRADE & PURITY Moligand™ ? 10mM in DMSO

Synonyms

CCG-269530 | NCGC00250391-07 | AZD-7547 | GTPL9362 | SCHEMBL6350247 | 4-{3-chloro-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamido]benzenesulfonyl}-N,N-dimethylbenzamide | NCGC00250391-01 | Benzamide, 4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要 Specifications 製品の性質名前と識別子 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™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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

Information

AZD7545 AZD7545 is a potent PDHK inhibitor with IC50 of 36.8 nM and 6.4 nM for PDHK1 and PDHK2 , respectively. It failed to inhibit PDHK4 at higher concentrations(>10 nM), AZD7545 stimulates PDHK4 activity.

Targets

PDHK2 ; PDHK1 6.4 nM; 36.8 nM

In vitro

In the presence of recombinant human PDHK2, AZD7545 increases PDH activity with EC50 of 5.2 nM. In primary rat hepatocytes, AZD7545 increases PDH activity with EC50 of 105 nM. AZD7545 inhibits PDHK activity by disrupting the interactions between PDHK2 and the inner lipoyl-bearing domains (L2) of the dihydrolipoyl transacetylase component (E2) of PDC.

In vivo

In Wistar rats, AZD7545 increases the percentage of active PDH in the liver and skeletal muscle. In obese, insulin-resistant, Zucker rats, AZD7545 eliminates the postprandial elevation in blood glucose.

Specifications

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

AZD7545 is a potent PDHK inhibitor with IC50 of 36.8 nM and 6.4 nM for PDHK1 and PDHK2, respectively. It failed to inhibit PDHK4 at higher concentrations(>10 nM), AZD7545 stimulates PDHK4 activity.

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

INHIBITOR

作用メカニズム

Inhibitor of pyruvate dehydrogenase kinase 1;Inhibitor of pyruvate dehydrogenase kinase 2

製品の性質

ALogP	2.913
hba_count	4
HBD数	1
回転可能な結合	6

名前と識別子

パブケム・シド	528763227
カノニカル・スマイル	CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O
IUPAC Name	4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide
InChIKey	DTDZLJHKVNTQGZ-GOSISDBHSA-N
INCHI	1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1
異性体SMILES	C[C@@](C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O
分子量	478.87
Reaxy-Rn	26263564
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26263564&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzamides
Alternative Parents	Anilides Benzenesulfonyl compounds Benzoyl derivatives N-arylamides Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Tertiary alcohols Sulfones Fluorohydrins Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzamide - Benzenesulfonyl group - Anilide - Benzoyl - N-arylamide - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Sulfone - Sulfonyl - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Fluorohydrin - Halohydrin - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
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

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レビュー

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DMSO（mg / mL）最大溶解度	95
DMSO（mM）最大溶解度	198.3836949
水（mg / mL）最大溶解度	＜1
分子量	478.900 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	478.058 Da
Monoisotopic Mass	478.058 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	778.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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