基本描述

英文别名	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
规格或纯度	Moligand™, ≥99%
英文名称	ETC-1002
生化机理	ETC-1002 (Bempedoic acid, ESP-55016)，又名本贝多酸，是一种口服、每日一次的降低低密度脂蛋白胆固醇的小分子药物，旨在降低升高的低密度脂蛋白胆固醇水平，并避免与现有降低低密度脂蛋白胆固醇疗法相关的副作用。ETC-1002 是肝脏 AMP 激活蛋白激酶 (AMPK) 的激活剂，对肝脏 ATP-柠檬酸裂解酶具有强效抑制活性（IC50=29 uM）。
储存温度	-20°C储存
运输条件	超低温冰袋运输
作用类型	抑制剂
作用机制	ATP 柠檬酸合成酶抑制剂
产品介绍	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.

AI解读

关联靶点（其它种属）

Hdac6 Histone deacetylase 6 (222 活性数据)

点击查看靶蛋白信息： Hdac6

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

rep Replicase polyprotein 1ab (378 活性数据)

点击查看靶蛋白信息： rep

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

SARS-CoV-2 (38078 活性数据)

点击查看此靶标相关信息

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

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	504765489
分子类型	小分子
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)
InChi Key	HYHMLYSLQUKXKP-UHFFFAOYSA-N
Canonical 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
PubChem CID	10472693
分子量	344.49

化学和物理性质

溶解性	Solubility (25°C) In vitro DMSO: 68 mg/mL (197.39 mM); Water: Insoluble; Ethanol: Insoluble;
熔点	87 - 92°C
分子量	344.500 g/mol
XLogP3	4.800
氢键供体数Hydrogen Bond Donor Count	3
氢键受体数Hydrogen Bond Acceptor Count	5
可旋转键计数Rotatable Bond Count	14
精确质量Exact Mass	344.256 Da
单同位素质量Monoisotopic Mass	344.256 Da
拓扑极表面积Topological Polar Surface Area	94.800 Å²
重原子数Heavy Atom Count	24
形式电荷Formal Charge	0
复杂度Complexity	351.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS08, GHS07
信号词	Danger
危险声明	H373: 通过长时间或反复暴露对器官造成损害 H302: 吞食有害 H372: 通过长时间或反复暴露对器官造成损害
预防措施声明	P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P330: 漱口 P301+P317: 如果被吞咽：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。

SDS英文版

技术规格说明书

Purity(HPLC)	99-100（%）
Proton NMR spectrum	Conforms to Structure
LC-MS for identification	Conforms

技术规格说明书

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找到6个结果

批号(Lot Number)	证书类型	日期	货号
K2218848	分析证书	22-08-27	E413887
K2218849	分析证书	22-08-27	E413887
K2218850	分析证书	22-08-27	E413887
K2218851	分析证书	22-08-27	E413887
K2218852	分析证书	22-08-27	E413887
C2518326	分析证书	22-08-27	E413887

参考文献

1. Elshourbagy NA, Near JC, Kmetz PJ, Wells TN, Groot PH, Saxty BA, Hughes SA, Franklin M, Gloger IS. (1992) Cloning and expression of a human ATP-citrate lyase cDNA.. Eur J Biochem, 204 (2): (491-9). [PMID:1371749] [10.1021/op500134e]
2. Bilen O, Ballantyne CM. (2016) Bempedoic Acid (ETC-1002): an Investigational Inhibitor of ATP Citrate Lyase.. Curr Atheroscler Rep, 18 (10): (61). [PMID:27663902] [10.1021/op500134e]
3. Saeed A, Ballantyne CM. (2018) Bempedoic Acid (ETC-1002): A Current Review.. Cardiol Clin, 36 (2): (257-264). [PMID:29609755] [10.1021/op500134e]
4. Zagelbaum NK, Yandrapalli S, Nabors C, Frishman WH. (2019) Bempedoic Acid (ETC-1002): ATP Citrate Lyase Inhibitor: Review of a First-in-Class Medication with Potential Benefit in Statin-Refractory Cases.. Cardiol Rev, 27 (1): (49-56). [PMID:29939848] [10.1021/op500134e]
5. Ray KK, Bays HE, Catapano AL, Lalwani ND, Bloedon LT, Sterling LR, Robinson PL, Ballantyne CM, CLEAR Harmony Trial. (2019) Safety and Efficacy of Bempedoic Acid to Reduce LDL Cholesterol.. N Engl J Med, 380 (11): (1022-1032). [PMID:30865796] [10.1021/op500134e]
6. Ray KK, Corral P, Morales E, Nicholls SJ. (2019) Pharmacological lipid-modification therapies for prevention of ischaemic heart disease: current and future options.. Lancet, 394 (10199): (697-708). [PMID:31448741] [10.1021/op500134e]
7. Feng X, Zhang L, Xu S, Shen AZ. (2020) ATP-citrate lyase (ACLY) in lipid metabolism and atherosclerosis: An updated review.. Prog Lipid Res, 77 (13): (101006). [PMID:31499095] [10.1021/op500134e]
8. Honigberg MC, Natarajan P. (2019) Bempedoic Acid for Lowering LDL Cholesterol.. JAMA, 322 (18): (1769-1771). [PMID:31714973] [10.1021/op500134e]

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货号 (SKU)	包装规格	是否现货
E413887-5mg	5mg	现货
E413887-50mg	50mg	现货
E413887-250mg	250mg	现货
E413887-1g	1g	现货
E413887-5g	5g	现货

ETC-1002, ATP 柠檬酸合成酶抑制剂

库存信息

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库存信息

基本描述

AI解读

关联靶点（其它种属）

作用机制

名称和识别符

化学和物理性质

安全和危险性（GHS）

技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

参考文献

溶液计算器

摩尔浓度计算器

稀释计算器

复溶计算器