3-(4-isopropoxyphenyl)-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one | 1028705-99-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(4-isopropoxyphenyl)-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one
• 英文别名: 3-[2-[4-[[2-methyl-6-oxo-1-(4-propan-2-yloxyphenyl)-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
• CAS: 1028705-99-8
• 化学式: C₃₂H₃₂N₄O₄
• 分子量: 536.63
• InChiKey: YPZILOMMCVVVIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  92.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(4-isopropoxyphenyl)-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 以95%的产率得到3-(4-isopropoxyphenyl)-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one potassium salt
  参考文献：
  名称：

  WO2008/62905

  摘要：

  公开号：
• 作为产物：
  描述：

  3-(4-Isopropoxyphenyl)-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3h)-one sodium salt 、 无水氯化钙 以 水 为溶剂， 反应 1.0h， 以to give the title compound (0.40 g, 71%) as a colorless solid的产率得到3-(4-isopropoxyphenyl)-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one
  参考文献：
  名称：

  HETEROMONOCYCLIC COMPOUND AND USE THEREOF

  摘要：

  一种化合物由式(I)表示，其中R1为氧代基、═N—R或类似基团；式中的基团为：其中R2为式中表示的基团；R3和R4各自为H、C1-C6烷基、C3-C6环烷基、C1-C6烷氧基、C1-C6烷基氨基、二(C1-C6)烷基氨基或C1-C6烷基硫基，每个基团均可选择性地被取代；而R5为H、C1-C6烷基、C2-C6烯基、环状基团，每个基团均可选择性地被取代，或为—CO—R8或—O—R8′；或其盐。本发明的化合物可用作预防或治疗心血管疾病、代谢性疾病和/或中枢神经系统疾病的药物。

  公开号：

  US20110112120A9

文献信息

• HETEROMONOCYCLIC COMPOUND AND USE THEREOF
  申请人：Kuroita Takanobu

  公开号：US20080207654A1

  公开（公告）日：2008-08-28

  A compound represented by the formula (I): wherein R1 is an oxo group, ═N—R or the like; a group represented by the formula: is a group represented by the formula: R2 is a group represented by the formula: R3 and R4 are each H, or C1-C6 alkyl, C3-C6 cycloalkyl, C1-C6 alkoxy, C1-C6 alkylamino, di(C1-C6)alkylamino or C1-C6 alkylthio, each of which is optionally substituted; and R5 is H, or C1-C6 alkyl, C2-C6 alkenyl, cyclic group, each of which is optionally substituted, —CO—R8 or —O—R8′, or a salt thereof. The compound of the present invention is useful as a drug for the prophylaxis or treatment of circulatory diseases, metabolic diseases and/or central nervous system diseases.

  化合物的化学式为(I)，其中R1为氧代基，═N—R或类似基团；式中的基团表示为：其中R2为式中的基团；R3和R4分别为H，或C1-C6烷基，C3-C6环烷基，C1-C6烷氧基，C1-C6烷基氨基，二(C1-C6)烷基氨基或C1-C6烷基硫基，每个基团均可选地被取代；R5为H，或C1-C6烷基，C2-C6烯基，环状基团，每个基团均可选地被取代，—CO—R8或—O—R8′，或其盐。本发明的化合物可用作预防或治疗循环系统疾病、代谢性疾病和/或中枢神经系统疾病的药物。
• Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07803940B2

  公开（公告）日：2010-09-28

  A compound represented by the formula (I): wherein R1 is an oxo group, ═N—R or the like; a group represented by the formula: is a group represented by the formula: R2 is a group represented by the formula: R3 and R4 are each H, or C1-C6 alkyl, C3-C6 cycloalkyl, C1-C6 alkoxy, C1-C6 alkylamino, di(C1-C6)alkylamino or C1-C6 alkylthio, each of which is optionally substituted; and R5 is H, or C1-C6 alkyl, C2-C6 alkenyl, cyclic group, each of which is optionally substituted, —CO—R8 or —O—R8′, or a salt thereof. The compound of the present invention is useful as a drug for the prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases.

  化合物的化学式为(I)，其中R1代表氧代基，═N—R或类似基团；式中代表的基团为：R2代表式中代表的基团；R3和R4分别代表氢、C1-C6烷基、C3-C6环烷基、C1-C6烷氧基、C1-C6烷基氨基、双(C1-C6)烷基氨基或C1-C6烷基硫基，每个基团都可以选择性地被取代；R5代表氢、C1-C6烷基、C2-C6烯基、环状基团，每个基团都可以选择性地被取代，—CO—R8或—O—R8′，或其盐。本发明的化合物可用作预防或治疗心血管疾病、代谢性疾病和/或中枢神经系统疾病的药物。
• Heteromonocyclic compound and use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2256115A1

  公开（公告）日：2010-12-01

  A compound represented by the formula (I): wherein R1 is an oxo group, =N-R or the like; a group represented by the formula: is a group represented by the formula: R2 is a group represented by the formula: R3 and R4 are each H, or C1-C6 alkyl, C3-C6 cycloalkyl, C1-C6 alkoxy, C1-C6 alkylamino, di(C1-C6)alkylamino or C1-C6 alkylthio, each of which is optionally substituted; and R5 is H, or C1-C6 alkyl, C2-C6 alkenyl, cyclic group, each of which is optionally substituted, -CO-R8 or -O-R8', or a salt thereof. The compound of the present invention is useful as a drug for the prophylaxis or treatment of circulatory diseases, metabolic diseases and/or central nervous system diseases.

  式 (I) 所代表的化合物： 其中 R1 是氧代基团、=N-R 或类似基团；由式（I）代表的基团： 是由式(I)代表的基团 R2 是由式......表示的基团： R3和R4各自为H，或C1-C6烷基、C3-C6环烷基、C1-C6烷氧基、C1-C6烷基氨基、二(C1-C6)烷基氨基或C1-C6烷硫基，其中每个基团任选被取代；R5为H，或C1-C6烷基、C2-C6烯基、环状基团，其中每个基团任选被取代，-CO-R8或-O-R8'，或其盐。本发明的化合物可用作预防或治疗循环系统疾病、代谢疾病和/或中枢神经系统疾病的药物。
• FLAVIN MONOOXYGENASES AND TRANSCRIPTION FACTORS INVOLVED IN GLUCOSINOLATE BIOSYNTHESIS
  申请人：Kliebenstein Daniel James

  公开号：US20100011462A1

  公开（公告）日：2010-01-14

  The invention provides methods and materials relating generally to plant derived flavin-containing monooxygenases (FMOs) capable of catalysing oxidation of a thio- to a sulphinyl-group during glucosinolate biosynthesis. It further relates to plant derived MYB factors capable of transcriptional regulation of biosynthetic genes. These have utility in the modification of glucosinolate biosynthesis.
• US7803940B2
  申请人：——

  公开号：US7803940B2

  公开（公告）日：2010-09-28