计算溶液所需的质量、体积或浓度。
为什么选择此级别
提供 ≥99% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
2-8°C储存,干燥。低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 0 篇同行评审文献引用。
概述
K-604 dihydrochloride is a potent and selective acyl-CoA:cholesterol acyltransferase 1 ( ACAT-1 ) inhibitor with an IC 50 of 0.45±0.06 μM.
In Vitro
The potency and selectivity of K-604 for human ACAT-1 and ACAT-2 is examined. The IC 50 value of K-604 for human ACAT-1 is 0.45 μM and that for human ACAT-2 is 102.85 μM, indicating that K-604 is 229-fold more selective for ACAT-1 than ACAT-2. Kinetic analysis indicates that the inhibition is competitive with respect to oleoyl-coenzyme A with a K i value of 0.378 μM. K-604 efficiently inhibits cholesterol esterification in human macrophages with IC 50 value of 68 nM. In cell free biochemical assays, K604 at 0.5 µM inhibits ACAT1 enzymatic activity by 70% without significantly inhibiting the ACAT2 enzyme activity. To investigate whether blocking ACAT1 increases autophagy in neuronal cells, N2a cells are treated with K604. The result shows that at 0.1 to 1 µM, K604 inhibits ACAT activity by 60-80%. Next K604 is added to N2a cells at concentrations from 0.1 to 1 µM for 24 h, and LC3 levels are examined by western blot. The result shows that K604 increases the LC3-II/LC3-I ratio, a reliable marker for autophagosome formation, in a dose-dependent manner. The number of the fluorescent LC3 puncta is significantly increased in N2a cells after K604 treatment. By western blot, K604 significantly decreases the levels of p62 in N2a cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Using F1B hamsters, an animal model susceptible to diet-induced hyperlipidemia and atherosclerosis, the effects of K-604 on aortic lesion areas and plasma cholesterol levels are assessed. Administration of K-604 does not affect body weight or food consumption. The plasma cholesterol levels in fat-fed hamsters are ~12-fold higher than those in chow-fed hamsters, which are significantly decreased by K-604 only at the highest dose tested (30 mg/kg) but not at lower doses (1-10 mg/kg).The fatty streak lesions stain with oil red O are markedly induced by the high-fat diet, which is significantly reduced by administration of K-604. Further, the histological analyses of the atherosclerotic lesions are performed. The fatty streak lesions in the control group are characterized by accumulation of foamy macrophages in the subendothelial space. In contrast, the areas occupied by foamy macrophages are markedly reduced by administration of K-604 . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Cell Assay
The mouse neuroblastoma cell line N2a is cultured in DMEM/Opti-MEM (50:50) with 10% fetal bovine serum (FBS) at 37°C with 5% CO 2 in a humidified incubator. Cells are incubated for 24 h with the ACAT1-specific inhibitor K604 (0.1, 0.5 and 1 µM) or isotype-nonspecific ACAT inhibitor CI-1011. Primary cortical neurons are isolated from mouse brains at postnatal day 0-3. Cortical neurons are plated in 6 well plates at 350,000 cells/well and grown in 2 mL/well Neurobasal A with 1×B27, 0.5 mM L-glutamine, and 5 ng/mL fibroblast growth factor. Half of the media is replaced with fresh media once every 7 days. After 14-21 days in culture, cells are used for individual experiments. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:ACAT-1 0.45 μM (IC 50 ) ACAT-2 102.85 μM (IC 50 )
规格
别名
K-604 二盐酸盐
规格或纯度
≥99%
英文名称
K-604 dihydrochloride
生化机理
K-604 二盐酸盐是一种强效的选择性酰基-CoA：胆固醇酰基转移酶 1（ACAT-1）抑制剂，其 IC 50 为 0.45±0.06 μM。
储存条件
2-8°C储存,干燥
运输条件
低温运输
作用类型
抑制剂
纯度
≥99%
名称和识别符
分子类型
小分子
IUPAC Name
2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide;dihydrochloride
INCHI
1S/C23H30N6OS3.2ClH/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23;;/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30);2*1H
InChi Key
DEKWEGUBUYKTAV-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C(=N1)SC)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4N3)SC.Cl.Cl
Isomeric SMILES
CC1=CC(=C(C(=N1)SC)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4N3)SC.Cl.Cl
PubChem CID
分子量
575.64
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机酸及其衍生物 |
| 类（Class) | 羧酸及其衍生物 |
| 亚类（Subclass） | 氨基酸、肽和类似物 |
| 中间层级节点（Intermediate Tree Nodes） | 氨基酸及其衍生物 - α氨基酸及其衍生物 |
| 直接上位类(Direct Parent) | α-氨基酸酰胺 |
| 其他上位类（Alternative Parents） | N-哌嗪乙酰胺 苯并咪唑类 N-芳基酰胺 烷基芳基硫醚 甲基吡啶 N-烷基哌嗪 苯类化合物 杂芳族化合物 咪唑类 三烷基胺 仲羧酸酰胺 亚磺酰基化合物 氮杂环化合物 盐酸盐 碳氢化合物衍生物 羰基化合物 有机氧化物 |
| 分子骨架（Molecular Framework) | 芳香族杂多环化合物 |
| 取代基（Substituents） | 1,4-二氮杂环丁烷 - 烷基芳硫醚 - α-氨基酸酰胺 - 氨基酸 - 芳香族杂多环化合物 - 芳基硫醚 - 氮杂环 - 吡唑 - 苯基化合物 - 苯并咪唑 - 羰基 - 羧酰胺基 - 杂芳香族化合物 - 烃衍生物 - 氟氯烃 - 咪唑 - 甲基吡啶 - N-烷基哌嗪 - N-芳基酰胺 - N-哌嗪乙酰胺 - 有机硝基化合物 - 有机氧化物 - 有机氧化合物 - 有机杂环化合物 - 有机氮化合物 - 有机氧化合物 - 有机硫化合物 - 哌嗪 - 吡啶 - 醛基 - 硫酰基化合物 - 三元脂肪胺 - 三芳基胺 - 硫醚 |
| 描述（Description） | 该化合物属于α-氨基酸酰胺类有机化合物。这类化合物是α-氨基酸的酰胺衍生物。 |
| 外部描述符（External Descriptors） | 暂无 |
三维结构
交互式化学结构模型
化学和物理性质
溶解性
H2O : 100 mg/mL (173.72 mM; Need ultrasonic) DMSO : 62.5 mg/mL (108.57 mM; Need ultrasonic)
分子量
575.600 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
4
氢键受体数Hydrogen Bond Acceptor Count
8
可旋转键计数Rotatable Bond Count
9
精确质量Exact Mass
574.118 Da
单同位素质量Monoisotopic Mass
574.118 Da
拓扑极表面积Topological Polar Surface Area
153.000 Ų
重原子数Heavy Atom Count
35
形式电荷Formal Charge
0
复杂度Complexity
623.000
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
3
安全和危险性（GHS）
RIDADR
NONHforallmodesoftransport
质检证书(CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
溶液计算器
常见问题
本产品的纯度是多少？
本产品的化学纯度（含量）为 ≥99%。批次的具体数值以分析证书（COA）为准。
本产品应如何储存？
请于2–8 °C、干燥条件下保存。请与干燥剂一同密封保存，本品对湿气敏感。
本产品如何运输？
本产品采用湿冰冷藏运输。收货后请立即拆包，并按上述储存条件保存。
本产品的 CAS 号、分子式和分子量是多少？
本产品的 CAS 号为 217094-32-1，分子式为 C23H32Cl2N6OS3，分子量为 575.64 g/mol。InChIKey DEKWEGUBUYKTAV-UHFFFAOYSA-N。
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每个订单都会随附分析证书（COA），您也可以从账户订单历史中下载。如需订购前的COA，请联系您的客户代表，或使用PDP上的"申请COA"按钮——我们将提供代表性批次的COA。
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