Basic Description

Synonyms	acido bempedoico \| CHEBI:44212 \| DB11936 \| (2R,3R)-rel-2,3-Dihydroxysuccinic acid \| A905695 \| AS-49804 \| EINECS 207-354-7 \| Epitope ID:115015 \| s7953 \| acidum bempedoicum \| AMY31933 \| BEMPEDOIC ACID [USAN] \| CCG-267969 \| bempedoic-acid \| Q27075007 \| BEMPE
Specifications & Purity	Moligand™, ≥99%
Biochemical and Physiological Mechanisms	ETC-1002 (Bempedoic acid, ESP-55016),also known as Bempedoic acid, is an orally available, once-daily LDL-C lowering small molecule designed to lower elevated levels of LDL-C and to avoid side effects associated with existing LDL-C lowering therapies.ETC-
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	ATP-citrate synthase inhibitor
Product Description	Information ETC-1002 ETC-1002 (Bempedoic acid, ESP-55016),also known as Bempedoic acid, is an orally available, once-daily LDL-C lowering small molecule designed to lower elevated levels of LDL-C and to avoid side effects associated with existing LDL-C lowering therapies.ETC-1002 is an activator of hepatic AMP-activated protein kinase (AMPK) . It has potent inhibitory activity against hepatic ATP-citrate lyase (IC50=29 uM). Targets AMPK In vitro ETC-1002 is a new investigational low density lipoprotein cholesterol (LDL-C)-lowering agent which is a dicarboxylic acid derivative with a novel mechanism of action targeting two hepatic enzymes--adenosine triphosphate-citrate lyase (ACL) and adenosine monophosphate-activated protein kinase (AMPK), inhibiting sterol and fatty acid synthesis and promoting mitochondrial long-chain fatty acid oxidation. It increases levels of AMP-activated protein kinase (AMPK) phosphorylation, reduces activity of MAP kinases and decreases production of proinflammatory cytokines and chemokines. These effects on soluble mediators of inflammation can be significantly abrogated by LKB1 siRNAs, indicating that ETC-1002 activates AMPK and exerts its anti-inflammatory effects via an LKB1-dependent mechanism. In vivo ETC-1002 suppresses thioglycollate-induced homing of leukocytes into mouse peritoneal cavity. Similarly, in a mouse model of diet-induced obesity, ETC-1002 restores adipose AMPK activity, reduces JNK phosphorylation, and diminishes expression of macrophage-specific marker 4F/80. ETC-1002 is an inactive prodrug and converted to an active ACL inhibitor(ECT-1002-CoA) by endogenous liver ACS activity in vivo. Cell Research(from reference) Cell lines：Primary rat hepatocytes and differentiated human monocyte-derived macrophages Concentrations：30 μM or 100 μM Incubation Time：12 h Application Bempedoic Acid is used for the treatment of dyslipidemia and other cardio-metabolic risk factors . It inhibits ATP citrate lyase (ACL), which an enzyme involved in fatty acid and cholesterol synthesis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Long-chain fatty acids
Alternative Parents	Methyl-branched fatty acids Hydroxy fatty acids Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Long-chain fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Branched fatty acid - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504765489
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765489
IUPAC Name	8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
INCHI	InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKey	HYHMLYSLQUKXKP-UHFFFAOYSA-N
Smiles	CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O
Isomeric SMILES	CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O
Molecular Weight	344.49
Reaxy-Rn	11997099
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11997099&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
K2218848	Certificate of Analysis	Aug 27, 2022	E413887
C2518326	Certificate of Analysis	Aug 27, 2022	E413887
K2218849	Certificate of Analysis	Aug 27, 2022	E413887
K2218850	Certificate of Analysis	Aug 27, 2022	E413887
K2218851	Certificate of Analysis	Aug 27, 2022	E413887
K2218852	Certificate of Analysis	Aug 27, 2022	E413887

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 68 mg/mL (197.39 mM); Water: Insoluble; Ethanol: Insoluble;
Melt Point(°C)	87 - 92°C
Molecular Weight	344.500 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Exact Mass	344.256 Da
Monoisotopic Mass	344.256 Da
Topological Polar Surface Area	94.800 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	351.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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SKU	Size	Availability	Price
E413887-5mg	5mg	3	$59.90
E413887-50mg	50mg	3	$293.90
E413887-250mg	250mg	3	$1,323.90
E413887-1g	1g	3	$4,762.90
E413887-5g	5g	2	$21,432.90

ETC-1002 - 99%, high purity , ATP-citrate synthase inhibitor, CAS No.738606-46-7, ATP-citrate synthase inhibitor