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名称
Pactimibe sulfate
分子类型
小分子
别名
硫酸帕替米贝
英文别名
EN300-37364279 | Pactimibe sulfate | 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid;sulfuric acid | UNII-FX3YKK43YM | DTXSID20209694 | Q27278249 | FX3YKK43YM | 1H-Indole-5-acetic acid, 7-((2,2-dimethyl-1-oxopropyl
英文名称
Pactimibe sulfate
货号
P651174-5mg
包装规格
5mg
浓度
≥98%
储存温度
2-8°C储存,干燥
运输条件
冰袋运输
产品介绍
Pactimibe sulfate (CS-505) is a dual ACAT1/2 inhibitor with IC 50 s of 4.9 μM and 3.0 μM, respectively. Pactimibe sulfate (CS-505) inhibits ACAT with IC 50 s of 2.0 μM, 2.7 μM, 4.7 μM in the liver, macrophages and THP-1 cells, respectively Pactimibe sulfate (CS-505) noncompetitively inhibits oleoyl-CoA with a K i value of 5.6 μM. Moreover, Pactimibe sulfate (CS-505) obviously inhibits cholesteryl ester formation with an IC 50 of 6.7 μM. Pactimibe sulfate (CS-505) possesses anti-atherosclerotic potential with lowering plasma cholesterol activity . In Vitro Pactimibe sulfate (CS-505) induces moderate ACAT inhibition in monocyte-derived macrophages, leading to the suppression of foam cell formation. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo Pactimibe sulfate (CS-505; 60 and 200 mg/kg/day; oral gavage; twice a day; 12 weeks) induces an inhibition for ACAT-1 and ACAT-2, causing a reduction of plasma cholesterol but no influence on macrophage- or collagen-positive areas. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male C57BL/6J ApoE −/− mice aged 8-week-oldDosage: 60 and 200 mg/kg/day Administration: Oral gavage; twice a day; 12 weeks Result: Decreased plasma cholesterol levels by 39% and 74% at the administration of 60 and 200 mg/kg/day. Form:Solid IC50& Target:ACAT1|4.9 μM (IC|50|)|ACAT2|3.0 μM (IC|50|)|ACAT|2 μM (IC|50|, in the liver)|ACAT|2.7 μM (IC|50|, in macrophages)|ACAT|4.7 μM (IC|50|, in THP-1 cells)|oleoyl-CoA|5.6 μM (Ki)|cholesteryl ester formation|6.7 μM (IC|50|)
生化机理
硫酸帕替麦布(CS-505)是一种 ACAT1/2 双重抑制剂,其 IC 50 s 分别为 4.9 μM 和 3.0 μM。硫酸帕替麦布(CS-505)在肝脏、巨噬细胞和 THP-1 细胞中抑制 ACAT 的 IC 50 s 分别为 2.0 μM、2.7 μM、4.7 μM。帕替米贝
CAS号
608510-47-0
分子式
C25H40N2O3.1/2H2O4S
分子量
465.65 g/mol
PubChem编号
11953348
Isomeric SMILES
CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)C.CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)C.OS(=O)(=O)O
IIUPAC Name
2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid;sulfuric acid
INCHI
1S/2C25H40N2O3.H2O4S/c2*1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6;1-5(2,3)4/h2*7-16H2,1-6H3,(H,26,30)(H,28,29);(H2,1,2,3,4)
InChi Key
MKJQESRCXYYHFR-UHFFFAOYSA-N
Smiles
CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)C.CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)C.OS(=O)(=O)O
PubChem CID
11953348
关联CAS
608510-47-0
MeSH Entry Terms
(7-(2,2-dimethylpropanamido)-4,6-dimethyl-1-octylindolin-5-yl)acetic acid hemisulfate;CS-505;pactimibe;pactimibe sulfate
溶解性
DMSO : 120 mg/mL (257.70 mM; Need ultrasonic) H2O : <0.1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble)
氢键供体数Hydrogen Bond Donor Count
6
氢键受体数Hydrogen Bond Acceptor Count
12
可旋转键计数Rotatable Bond Count
22
精确质量Exact Mass
930.575 Da
单同位素质量Monoisotopic Mass
930.575 Da
拓扑极表面积Topological Polar Surface Area
222.000 Ų
重原子数Heavy Atom Count
65
形式电荷Formal Charge
0
复杂度Complexity
653.000
同位素原子数Isotope Atom Count
0
共价键合单元计数Covalently-Bonded Unit Count
3
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上下游信息
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Pactimibe sulfate 5mg
品牌:阿拉丁
货号:P651174-5mg
级别: ≥98%
货期:30天
已售 967 件
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5401
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