2-[6-chloro-2-oxo-4-(2-methylphenyl)-2H-chromen-3-yl]-N-(2,6-dimethoxyphenyl)acetamide | 159816-89-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 2-[6-chloro-2-oxo-4-(2-methylphenyl)-2H-chromen-3-yl]-N-(2,6-dimethoxyphenyl)acetamide
• 英文别名: 6-Chloro-N-(2,6-dimethoxyphenyl)-4-(2-methylphenyl)-2-oxo-2H-1-benzopyran-3-acetamide；2-[6-chloro-4-(2-methylphenyl)-2-oxo-2H-chromene-3-yl]-N-(2,6-dimethoxyphenyl)-Acetamide；2-[6-chloro-4-(2-methylphenyl)-2-oxochromen-3-yl]-N-(2,6-dimethoxyphenyl)acetamide
• CAS: 159816-89-4
• 化学式: C₂₆H₂₂ClNO₅
• 分子量: 463.917
• InChiKey: AMMFRHVIWVEUTA-UHFFFAOYSA-N

物化性质

• 沸点：
  648.811±55.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.318±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Lipid-rich plaque inhibitors
  申请人：——

  公开号：US20030232809A1

  公开（公告）日：2003-12-18

  The present invention provides a lipid-rich plaque regressing agent comprising a compound represented by Formula: 1 in which ring A is a cyclic hydrocarbon or the like; ring B is a heterocyclic ring or the like; each of X and Y is —NR 1 — (in which R 1 is a hydrocarbon or the like); D is a C 1-3 alkylene group or the like; E is —NH— or the like; G is a bond or the like; and Ar is an aryl or the like; D may be taken together with a constituent atom of the ring B to form a ring, and R 4 may be taken together with a constituent atom of the ring B to form a ring.

  本发明提供了一种富含脂质的斑块退行剂，包括一种由式:1所代表的化合物，其中环A是环烃或类似物；环B是杂环或类似物；X和Y中的每一个是—NR1—（其中R1是烃或类似物）；D是C1-3烷基或类似物；E是—NH—或类似物；G是键或类似物；Ar是芳基或类似物；D可以与环B的一个构成原子结合形成环，R4可以与环B的一个构成原子结合形成环。
• Lipid-rich plaque regressing agents
  申请人：Terashita Zen-ichi

  公开号：US20060035865A1

  公开（公告）日：2006-02-16

  The present invention provides a lipid-rich plaque regressing agent comprising a compound represented by Formula: in which ring A is a cyclic hydrocarbon or the like; ring B is a heterocyclic ring or the like; each of X and Y is —NR 1 — (in which R 1 is a hydrocarbon or the like); D is a C 1-3 alkylene group or the like; E is —NH— or the like; G is a bond or the like; and Ar is an aryl or the like; D may be taken together with a constituent atom of the ring B to form a ring, and R 4 may be taken together with a constituent atom of the ring B to form a ring.

  本发明提供了一种脂质富集斑块消退剂，其包括以下式子所代表的化合物：其中，环A是环烃或类似物；环B是杂环或类似物；X和Y中的每一个均为—NR1—（其中R1为碳氢化合物或类似物）；D是C1-3烷基或类似物；E是—NH—或类似物；G是键或类似物；Ar是芳基或类似物；D可以与环B的组成原子结合形成环，而R4可以与环B的组成原子结合形成环。
• Method of searching for arteriosclerosis inhibitors and shrinkers
  申请人：——

  公开号：US20030139616A1

  公开（公告）日：2003-07-24

  It is intended to find an efficient method of searching for drugs affecting the cholesteryl ester cycle and establish a system of efficiently searching for defoaming agents or regression agents artherosclerotic lesion and a system of searching for therapeutic agents remedies for atherosclerosis with a mechanism different from publicly known ones. A method of evaluating effects of a test substance on intracellular cholesteryl ester metabolic regulation which comprises selectively extracting free cholesterol with an aqueous alcohol from cells having been incubated in the presence of the test substance and cells having been incubated in the absence of the test substance, and then comparing the cholesteryl ester content in the cells having been incubated in the presence of the test substance with the cholesteryl ester content in the cells having been incubated in the absence of the test substance; in particular, a method of screening a compound having an activity of regulating the intracellular cholesteryl ester metabolism; and defoaming promoters, antiatherogenic agents or agents for regression of atherosclerotic lesion containing as the active ingredient compounds screened by the above method.

  本文旨在寻找一种有效的方法，以搜索影响胆固醇酯循环的药物，并建立一种有效搜索消泡剂或退行性动脉粥样硬化病变的系统，以及一种搜索机制与公开已知机制不同的动脉粥样硬化疗法的系统。一种评估试验物质对胆固醇酯代谢调节的影响的方法，包括从已在试验物质存在和不存在的情况下孵育的细胞中，用水性酒精选择性提取游离胆固醇，然后将存在试验物质的细胞中的胆固醇酯含量与不存在试验物质的细胞中的胆固醇酯含量进行比较；特别是筛选具有调节细胞内胆固醇酯代谢活性的化合物的方法；以及包含通过上述方法筛选出的化合物作为活性成分的消泡促进剂、抗动脉粥样硬化剂或动脉粥样硬化病变退行剂的药物。
• Condensed heterocyclic compounds, their production and use
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0585913A2

  公开（公告）日：1994-03-09

  Novel compound represented by the formula: wherein ring A may be substituted; ring B represents an optionally substituted benzene ring; either X or Y represents -NR¹- (R¹ represents a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted hydroxyl group or an optionally substituted amino group), -O- or -S-, the other representing -CO-, -CS- or -C(R²)R2a- (R² and R2a independently represent a hydrogen atom or an optionally substituted hydrocarbon group), or either X or Y represents -N=, the other representing =CR³- (R³ represents a hydrogen atom, a halogen atom, an optionally substituted hydrocarbon group , an optionally substituted amino group, a substituted hydroxyl group or a mercapto group substituted by an optionally substituted hydrocarbon group); ........ represents a single or double bond; when ........ is a single bond, Z represents -CR⁴- (R⁴ represents a hydrogen atom, hydroxyl group or an optionally substituted hydrocarbon group) or a nitrogen atom, or (ii) when ........ is a double bond, Z represents a carbon atom; D represents a C₁₋₃ alkylene group which may be substituted by an oxo group or a thioxo group, or D and Y, taken together, may form a 5- to 7-membered ring which may be substituted by an oxo group or a thioxo group; E represents -NR⁵- (R⁵ represents a hydrogen atom or an optionally substituted hydrocarbon group), -O- or -S(O)n- (n is 0,1 or 2), or R⁵ and Y, taken together, may form a 5- to 7- membered ring which may be substituted by an oxo group or a thioxo group; G represents a bond or a C₁₋₃ alkylene group; Ar represents an optionally substituted aryl group or an optionally substituted heterocyclic group, provided that (1) when (i) -X-Y- represents - O-CO- or -CO-O-, (ii) D represents -CO- and (iii) E represents -NR⁵-, either (a) G represents a C₁₋₃ alkylene group and Ar represents a substituted aryl group or a substituted heterocyclic group, or (b) G represents a bond and R⁵ represents an optionally substituted hydrocarbon group, and (2) when -X-Y- represents -NH-CO-, D represents -CO-, or a salt thereof having an excellent activity of inhibiting ACAT, lowering chlesterol in blood and inhibiting tachykinin recepter, or a salt thereof, their production and use.

  由式表示的新型化合物： 其中环 A 可被取代 环 B 代表任选取代的苯环； X或Y代表-NR¹-（R¹代表氢原子、任选取代的烃基、任选取代的羟基或任选取代的氨基）、-O-或-S-，另一个代表-CO-、-CS-或-C(R²)R2a-（R²和R2a独立地代表氢原子或任选取代的烃基）、或 X 或 Y 代表-N=，另一个代表 =CR³-（R³ 代表氢原子、卤素原子、任选取代的烃基、任选取代的氨基、取代的羟基或被任选取代的烃基取代的巯基）； ........ 代表单键或双键； 当 ........ 为单键时，Z 代表-CR⁴-（R⁴ 代表氢原子、羟基或任选取代的烃基）或氮原子；或 (ii) 当 ........ 为双键时，Z 代表碳原子； D 代表可被氧代基团或硫代基团取代的 C₁₋₃亚烷基，或 D 和 Y 合在一起可形成可被氧代基团或硫代基团取代的 5-7 元环； E 代表-NR⁵-（R⁵ 代表氢原子或任选取代的烃基）、-O-或-S(O)n-（n 为 0、1 或 2），或 R⁵ 和 Y 合在一起可形成可被氧代基团或硫代基团取代的 5-7 分子环； G 代表键或 C₁₋₃ 亚烷基； Ar 代表任选取代的芳基或任选取代的杂环基，条件是 (1) 当(i)-X-Y-代表-O-CO-或-CO-O-，(ii)D 代表-CO-和(iii)E 代表-NR⁵-时， (a) G 代表 C₁₋₃亚烷基，Ar 代表取代的芳基或取代的杂环基、(2) 当-X-Y-代表-NH-CO-时，D代表-CO-，或其盐具有抑制 ACAT、降低血液中胆固醇和抑制速激肽受体的优异活性，或其盐的生产和使用。
• METHOD OF SEARCHING FOR ARTERIOSCLEROSIS INHIBITORS AND SHRINKERS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1277760A1

  公开（公告）日：2003-01-22

  It is intended to find an efficient method of searching for drugs affecting the cholesteryl ester cycle and establish a system of efficiently searching for defoaming agents or regression agents artherosclerotic lesion and a system of searching for therapeutic agents remedies for atherosclerosis with a mechanism different from publicly known ones. A method of evaluating effects of a test substance on intracellular cholesteryl ester metabolic regulation which comprises selectively extracting free cholesterol with an aqueous alcohol from cells having been incubated in the presence of the test substance and cells having been incubated in the absence of the test substance, and then comparing the cholesteryl ester content in the cells having been incubated in the presence of the test substance with the cholesteryl ester content in the cells having been incubated in the absence of the test substance; in particular, a method of screening a compound having an activity of regulating the intracellular cholesteryl ester metabolism; and defoaming promoters, antiatherogenic agents or agents for regression of atherosclerotic lesion containing as the active ingredient compounds screened by the above method.

  目的是找到一种有效的方法来寻找影响胆固醇酯循环的药物，并建立一种有效地寻找动脉粥样硬化病变的消泡剂或消退剂的系统，以及一种寻找治疗动脉粥样硬化的药物的系统，其机制不同于公开的已知机制。一种评估受试物质对细胞内胆固醇酯代谢调节作用的方法，包括用水性醇选择性地从存在受试物质培养的细胞和不存在受试物质培养的细胞中提取游离胆固醇，然后比较存在受试物质培养的细胞中的胆固醇酯含量和不存在受试物质培养的细胞中的胆固醇酯含量；特别是筛选具有调节细胞内胆固醇酯代谢活性的化合物的方法；以及以上述方法筛选的化合物为活性成分的消泡促进剂、抗动脉粥样硬化病变消退剂或药剂。