MK-4074

COA

级别和纯度:

≥99%

CAS编号: 1039758-22-9
分子式: C₃₃H₃₁N₃O₆
分子量: 565.62
PubChem编号: 24964679

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货号 (SKU)	包装规格	是否现货
M651318-5mg	5mg	期货
M651318-10mg	10mg	期货
M651318-25mg	25mg	期货
M651318-50mg	50mg	期货
M651318-100mg	100mg	期货

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Acetyl-CoA Carboxylase (19) Metabolic Enzyme/Protease (4889) 脂质代谢 (4331)

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基本描述

规格或纯度	≥99%
英文名称	MK-4074
生化机理	MK-4074 是乙酰-CoA 羧化酶 ACC1 和 ACC2 的肝脏特异性抑制剂，IC 50 值约为 3 nM。
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
产品介绍	MK-4074 is a liver-specific inhibitor of acetyl-CoA carboxylase ACC1 and ACC2 with IC 50 values of approximately 3 nM. In Vitro MK-4074 strongly inhibits both ACC1 and ACC2 with IC 50 values of approximately 3 nM. MK-4074 is highly liver specific because it is a substrate of organic anion transport protein (OATP) transporters that are present only in hepatocytes, and excretion of MK-4074 from hepatocytes into bile is dependent on the MRP2 efflux transporter. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo In male KKAy mice, a mouse model of obesity, type 2 diabetes, and fatty liver, a single oral dose of MK-4074 (0.3-3 mg/kg) significantly decreases DNL in a dose-dependent manner with an ID 50 value of 0.9 mg/kg 1 hr post-administration. In a time course study, MK-4074 orally at 30 mg/kg reduces hepatic DNL by 83%, 70%, and 51% at 4, 8, and 12 hr post-dose, respectively. Single oral doses of MK-4074 at 30 and 100 mg/kg significantly increases plasma total ketones, a surrogate biomarker for hepatic FAO, by 1.5-fold to 3-fold for up to 8 hr . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 3 nM (Acetyl-CoA Carboxylase)
纯度	≥99%

关联靶点（人）

ACACB Tchem 乙酰辅酶A羧化酶2(Acetyl-CoA carboxylase 2) (1 活性数据)

点击查看靶蛋白信息： ACACB

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

ACACA Tchem 乙酰辅酶A羧化酶1(Acetyl-CoA carboxylase 1) (1 活性数据)

点击查看靶蛋白信息： ACACA

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

ACACA Tchem Acetyl-CoA carboxylase 1 (794 活性数据)

点击查看靶蛋白信息： ACACA

活性类型	Relation	Activity value	Units	Action Type	期刊	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

分子类型	未知
IIUPAC Name	5-[1'-(1-cyclopropyl-4-methoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid
INCHI	1S/C33H31N3O6/c1-19-18-36(24-4-5-24)26-13-21(14-29(41-2)30(19)26)31(38)35-9-7-33(8-10-35)15-27(37)25-12-20(3-6-28(25)42-33)22-11-23(32(39)40)17-34-16-22/h3,6,11-14,16-18,24H,4-5,7-10,15H2,1-2H3,(H,39,40)
InChi Key	WDBNGXLHMZSUEI-UHFFFAOYSA-N
Smiles	CC1=CN(C2=C1C(=CC(=C2)C(=O)N3CCC4(CC3)CC(=O)C5=C(O4)C=CC(=C5)C6=CC(=CN=C6)C(=O)O)OC)C7CC7
Isomeric SMILES	CC1=CN(C2=C1C(=CC(=C2)C(=O)N3CCC4(CC3)CC(=O)C5=C(O4)C=CC(=C5)C6=CC(=CN=C6)C(=O)O)OC)C7CC7
PubChem CID	24964679
分子量	565.62

化学和物理性质

溶解性	DMSO : 50 mg/mL (88.40 mM; Need ultrasonic)
分子量	565.600 g/mol
XLogP3	3.900
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	7
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	565.221 Da
单同位素质量Monoisotopic Mass	565.221 Da
拓扑极表面积Topological Polar Surface Area	111.000 Å²
重原子数Heavy Atom Count	42
形式电荷Formal Charge	0
复杂度Complexity	1060.000
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

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