Sodium Dichloroacetate - Moligand™, ≥97%(T) , Pyruvate dehydrogenase kinase inhibitor, CAS No.2156-56-1, Pyruvate dehydrogenase kinase inhibitor

CAS: 2156-56-1 Cat. No.: S161074 Peso molecular: 150.92 Beilstein Registry Number: 2(2)194 Número EC: 218-461-3 PubChem CID: 517326
Disponible para pedir
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. ≥97%(T)
Synonyms
Tox21_301394 | DTXCID6017207 | Dichloroctan sodny | NSC-744479 | ACETIC ACID, DICHLORO-, SODIUM SALT | Tox21_113573 | Sodium dichloroacetate (USAN) | CCRIS 7697 | NCGC00167845-01 | 3-(1-acetylpiperidin-4-yl)-1-[(3R,5R)-adamantan-1-yl]urea | Sodium dichlor
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
S161074-5g
5

21,90US$

32,90US$
Guardar 11,00 US$ (33.43%)
25g
S161074-25g
2

50,90US$

76,90US$
Guardar 26,00 US$ (33.81%)
100g
S161074-100g
1

151,90US$

227,90US$
Guardar 76,00 US$ (33.35%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
Tox21_301394 | DTXCID6017207 | Dichloroctan sodny | NSC-744479 | ACETIC ACID, DICHLORO-, SODIUM SALT | Tox21_113573 | Sodium dichloroacetate (USAN) | CCRIS 7697 | NCGC00167845-01 | 3-(1-acetylpiperidin-4-yl)-1-[(3R, 5R)-adamantan-1-yl]urea | Sodium dichlor
Especificaciones y pureza
Moligand™, ≥97%(T)
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Enviado en
Normal
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Pyruvate dehydrogenase kinase inhibitor
Pureza
≥97%(T)
Nombres e identificadores
Pubchem Sid488189970
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488189970
Sonrisas canónicasC(C(=O)[O-])(Cl)Cl.[Na+]
IUPAC Namesodium;2,2-dichloroacetate
InChIKeyLUPNKHXLFSSUGS-UHFFFAOYSA-M
INCHI1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
Isómeros SMILES C(C(=O)[O-])(Cl)Cl.[Na+]
WGK Alemania 2
RTECS AG9275000
PubChem CID 517326
Peso molecular 150.92
Beilstein 2(2)194
Reaxy-Rn 3916178

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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAlpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentAlpha-halocarboxylic acids
Alternative Parents Carboxylic acid salts  Organic metal halides  Monocarboxylic acids and derivatives  Carboxylic acids  Organochlorides  Organic sodium salts  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl chlorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alpha-halocarboxylic acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Alkyl chloride - Organic salt - Organooxygen compound - Organochloride - Organohalogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ROCK2 Tclin Rho-associated protein kinase 2 (6206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A-375 (9258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BGC-823 (3035 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1975 (4994 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
Bel-7402 (4577 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1650 (1118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CISD1 Tchem CDGSH iron-sulfur domain-containing protein 1 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCD-841CoN (99 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
4T1 (1737 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pdk1 Pyruvate dehydrogenase kinase (250 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

17 results found

Lot NumberCertificate TypeFechaArticulo
B1826079Certificate of AnalysisSep 16, 2025 S161074
H2508712Certificate of AnalysisAug 21, 2025 S161074
H2508711Certificate of AnalysisAug 21, 2025 S161074
H2508535Certificate of AnalysisAug 21, 2025 S161074
J2128465Certificate of AnalysisAug 11, 2025 S161074
C2414746Certificate of AnalysisApr 09, 2024 S161074
F2415238Certificate of AnalysisMar 20, 2024 S161074
F2415247Certificate of AnalysisMar 20, 2024 S161074
F2415250Certificate of AnalysisMar 20, 2024 S161074
F2523062Certificate of AnalysisMar 20, 2024 S161074
C2328590Certificate of AnalysisApr 07, 2023 S161074
C2328608Certificate of AnalysisApr 07, 2023 S161074
C2328603Certificate of AnalysisApr 07, 2023 S161074
C2328596Certificate of AnalysisApr 07, 2023 S161074
J2227480Certificate of AnalysisNov 01, 2022 S161074
J2227496Certificate of AnalysisNov 01, 2022 S161074
J2227519Certificate of AnalysisNov 01, 2022 S161074

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Propiedades químicas y físicas
SolubilidadSoluble in water
SensibilidadMoisture sensitive.
Punto de fusión (°C)198 °C
Peso molecular150.920 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass149.925 Da
Monoisotopic Mass149.925 Da
Topological Polar Surface Area40.100 Ų
Heavy Atom Count7
Formal Charge0
Complexity64.700
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Ziyuan Huang, Liangfeng Huang, Yanjuan Huang, Yuanfeng He, Xiaoqi Sun, Xiang Fu, Xiaoyu Xu, Gaofei Wei, Dawei Chen, Chunshun Zhao.  (2017)  Phthalocyanine-based coordination polymer nanoparticles for enhanced photodynamic therapy.  Nanoscale,  (41): (15883-15894).  [PMID:28994841] [10.1039/C7NR05402E]
2. Shengcun Ma, Xiaoqi Guo, Baiyang Chen.  (2016)  Toward better understanding of chloral hydrate stability in water: Kinetics, pathways, and influencing factors.  CHEMOSPHERE,      [PMID:27206269] [10.1016/j.chemosphere.2016.05.018]
3. Shiyuan Xiao, Yue Li, Jun Wang, Mengran Wang, Bing Bu, Wenmin Jiang.  (2025)  Lactylated histone H4K8 regulation of MFN2/Wnt signaling integrates glycolytic metabolism and Müller cell activation in the pathogenesis of glaucoma.  NEUROBIOLOGY OF DISEASE,      [PMID:41197676] [10.1016/j.nbd.2025.107178]
4. Xinyu Zhang, Yujie Liu, Ziling Yuan, Haomin Chen, Danyang Ma, Bingzhi Li, Ruihua Liu, Chao Yang.  (2025)  Metabolic engineering of Pseudomonas putida for mineralization of 1,2-dichloroethane and 2,4-dichlorophenoxyacetic acid and its application in wastewater bioremediation.  Journal of Environmental Chemical Engineering,  14  (1): (120844).  [PMID:] [10.1016/j.jece.2025.120844]
5. Ye Tian, Mengxing Yu, Lei Wang, Xiaohan Zhu, Jiahui Wei, Ningbo Yang, Fengli Yu, Bing Yuan.  (2026)  Highly dispersed copper on lignin-based nitrogen-doped mesoporous carbon for selective hydrodeoxygenation of vanillin.  Journal of Environmental Chemical Engineering,  14  (3): (122304).  [PMID:] [10.1016/j.jece.2026.122304]
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