AZD7545 - Moligand™, ≥98% , 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.: A413767 Formula: C19H18ClF3N2O5S Peso molecolare: 478.87
Disponibile su ordine
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
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 -20°C
Shipped In
Ice chest + Ice pads
Size
Germania (EU)
USA*
Price
Qty
5mg
A413767-5mg
2 Disponibile

154,37€

231,60€
Salva 77,23 € (33.35%)
10mg
A413767-10mg
Su ordinazione · 8–12 settimane

278,46€

418,16€
Salva 139,71 € (33.41%)
50mg
A413767-50mg
2 Disponibile

339,20€

509,28€
Salva 170,08 € (33.40%)
100mg
A413767-100mg
2 Disponibile

610,80€

916,25€
Salva 305,44 € (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

Panoramica

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

Sinonimi
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
Specifiche e purezza
Moligand™, ≥98%
Meccanismi biochimici e fisiologici
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.
Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Grado
Moligand™
Tipo di azione
INHIBITOR
Meccanismo d'azione
Inhibitor of pyruvate dehydrogenase kinase 1;Inhibitor of pyruvate dehydrogenase kinase 2
Purezza
≥98%
Proprietà del prodotto
ALogP2.913
hba_count4
Conteggio HBD1
Legame rotabile6
Nomi e identificatori
Pubchem Sid504768512
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504768512
Sorrisi canoniciCC(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 Name4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide
InChIKeyDTDZLJHKVNTQGZ-GOSISDBHSA-N
INCHI1S/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
Isomeri 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
Peso molecolare 478.87
Reaxy-Rn 26263564
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26263564&ln=

Documentazione

📋 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

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzamides
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 FrameworkAromatic 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
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
PDK1 Tchem [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PDK2 Tchem [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PDK2 Tchem Pyruvate dehydrogenase kinase isoform 2 (894 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A-375 (9258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SH-SY5Y (11521 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L02 (4864 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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 TypeDataOggetto
C2626071Certificate of AnalysisApr 03, 2026 A413767
H2213058Certificate of AnalysisJun 09, 2025 A413767
H2213056Certificate of AnalysisMay 12, 2025 A413767
L2418262Certificate of AnalysisJun 17, 2022 A413767
Proprietà chimiche e fisiche
SolubilitàSolubility (25°C) In vitro DMSO: 95 mg/mL (198.38 mM); Ethanol: 95 mg/mL (198.38 mM); Water: Insoluble;
DMSO (mg/mL) Solubilità massima95
DMSO (mM) Solubilità massima198.3836949
Acqua (mg/mL) Solubilità massima<1
Peso molecolare478.900 g/mol
XLogP32.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass478.058 Da
Monoisotopic Mass478.058 Da
Topological Polar Surface Area112.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity778.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

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