4-(3,5-dichloro-pyridin-4-yl)aminocarbonyl-7-methoxy-2-(4-methyl-1-piperazinyl)carbonylbenzofuran

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 4-(3,5-dichloro-pyridin-4-yl)aminocarbonyl-7-methoxy-2-(4-methyl-1-piperazinyl)carbonylbenzofuran
• 英文别名: 4-(3,5-Dichloro-pyridin-4-yl)carbamoyl-7-methoxy-2-(4-methyl-1-piperazinyl)carbonylbenzofuran；4-(3,5-dichloro-4-pyridyl)aminocarbonyl-7-methoxy-2-(4-methyl-1-piperazinyl)carbonylbenzofuran；N-(3,5-dichloropyridin-4-yl)-7-methoxy-2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-4-carboxamide
• 化学式: C₂₁H₂₀Cl₂N₄O₄
• 分子量: 463.32
• InChiKey: XKTXNKIOZXLNNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  87.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 7-Methoxy-4-[1-methyl-2-(4-pyridyl)ethenyl]-spiro[2,3-dihydrobenzofuran-2,1'-cyclopentane] 、 1-羟基苯并三唑一水物 以 N,N-二甲基甲酰胺 为溶剂， 以82%的产率得到4-(3,5-dichloro-pyridin-4-yl)aminocarbonyl-7-methoxy-2-(4-methyl-1-piperazinyl)carbonylbenzofuran
  参考文献：
  名称：

  Derivatives of benzofuran or benzodioxole

  摘要：

  根据您的要求，以下是该化学公式（I）的中文翻译： 一个含氧杂环化合物，由以下公式（I）表示：其中R1和R2独立代表氢、低级烷基、氰基、—(CH2)n—E1—CO—G1（其中E1代表一个键、O或NH；G1代表氢、取代或未取代的低级烷基、OR6或NR7R8；n代表0到4的整数），或类似物；R1和R2共同代表与相邻碳原子一起的饱和碳环；或者R2与下面描述的R11或R13结合形成一个单键；R3代表氢、苯基或卤素；R4代表羟基、低级烷氧基或类似物；A代表—C(R9)(R10)—或O；B代表O、NR11、—C(R12)(R13)—或—C(R14)(R15)—C(R16)(R17)—；D代表（i）—C(R18)(R19)—X—（其中X代表—C(R21)(R22)—、S或NR23）、（ii）—C(R19a)═Y— [Y代表—C(R24)—Z—（其中Z代表CONH、CONHCH2或一个键）或N]，或（iii）一个键；R5代表芳基、芳香杂环基、环烷基、吡啶-N-氧化物、氰基或低级烷氧基甲酸；或其药物可接受的盐。

  公开号：

  US06514996B2

文献信息

• DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE
  申请人：——

  公开号：US20020128290A1

  公开（公告）日：2002-09-12

  An oxygen-containing heterocyclic compound represented by following Formula (I): 1 wherein R 1 and R 2 independently represent hydrogen, lower alkyl, cyano, —(CH 2 ) n —E 1 —CO—G 1 (wherein E 1 represents a bond, O, or NH; and G 1 represents hydrogen, substituted or unsubstituted lower alkyl, OR 6 , or NR 7 R 8 ; and n represents an integer of 0 to 4), or the like; R 1 and R 2 are combined to represent a saturated carbon ring together with a carbon atom adjacent thereto; or R 2 , and R 11 or R 13 described below are combined to form a single bond; R 3 represents hydrogen, phenyl, or halogen; R 4 represents hydroxy, lower alkoxy, or the like; A represents —C(R 9 )(R 10 )— or O; B represents O, NR 11 , —C(R 12 )(R 13 )—, or —C(R 14 )(R 15 )—C(R 16 )(R 17 )—; D represents (i) —C(R 18 )(R 19 )—X— (wherein X represents —C(R 21 )(R 22 )—, S, or NR 23 ), (ii) —C(R 19a )═Y— [Y represents —C(R 24 )—Z— (wherein Z represents CONH, CONHCH 2 , or a bond), or N], or (iii) a bond; and R 5 represents aryl, an aromatic heterocyclic group, cycloalkyl, pyridine-N-oxide, cyano, or lower alkoxycarbonyl; or pharmaceutically acceptable salts thereof.

  以下是由下式（I）表示的含氧杂环化合物： 其中R1和R2独立地表示氢、较低的烷基、氰基、—（CH2）n—E1—CO—G1（其中E1表示键、O或NH；G1表示氢、取代或未取代的较低烷基、OR6或NR7R8；n表示0到4的整数），或类似物；R1和R2结合表示与相邻碳原子一起形成饱和碳环；或R2，以及下文描述的R11或R13结合形成单键；R3表示氢、苯基或卤素；R4表示羟基、较低的烷氧基或类似物；A表示—C（R9）（R10）—或O；B表示O、NR11、—C（R12）（R13）—或—C（R14）（R15）—C（R16）（R17）—；D表示（i）—C（R18）（R19）—X—（其中X表示—C（R21）（R22）—、S或NR23）、（ii）—C（R19a）═Y—［Y表示—C（R24）—Z—（其中Z表示CONH、CONHCH2或键），或N］，或（iii）键；R5表示芳基、芳香杂环基、环烷基、吡啶-N-氧化物、氰基或较低烷氧羰基；或其药学上可接受的盐。
• BENZOFURAN DERIVATIVES
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1029860A1

  公开（公告）日：2000-08-23

  Benzofuran derivatives represented by general formula (I) or pharmacologically acceptable salts thereof, wherein R1 represents lower alkyl; R2 represents hydrogen or optionally substituted lower alkyl; R3, R4, R5, and R6 are the same or different and each represents hydrogen or lower alkyl; X represents CH2 or C=O; and Y represents CH2 or NH.

  由通式（I）代表的苯并呋喃衍生物或其药理上可接受的盐，其中 R1 代表低级烷基；R2 代表氢或任选取代的低级烷基；R3、R4、R5 和 R6 相同或不同，且各自代表氢或低级烷基；X 代表 CH2 或 C=O；Y 代表 CH2 或 NH。
• REMEDIES/PREVENTIVES FOR CHRONIC SKIN DISEASE
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1810692A1

  公开（公告）日：2007-07-25

  The present invention provides: a therapeutic and/or preventive agent for chronic skin diseases which comprises (a) a phosphodiesterase (PDE)-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) a steroid agent as active ingredients; a therapeutic and/or preventive agent for chronic skin diseases to be administered simultaneously or separately with an interval which comprises (a) a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) a steroid agent, as active ingredients; a kit for treating and/or preventing chronic skin diseases characterized by comprising (a) a first component comprising a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) a second component comprising a steroid agent; and the like.

  本发明提供了一种治疗和/或预防慢性皮肤病的药剂，其活性成分包括(a)磷酸二酯酶(PDE)-IV抑制剂或其药学上可接受的盐和(b)类固醇制剂；一种治疗和/或预防慢性皮肤病的药剂，可与包括(a)磷酸二酯酶(PDE)-IV抑制剂或其药学上可接受的盐和(b)类固醇制剂在内的活性成分同时或单独施用；一种治疗和/或预防慢性皮肤病的试剂盒，其特征在于包括(a)由 PDE-IV 抑制剂或其药学上可接受的盐组成的第一组分和(b)由类固醇制剂组成的第二组分；等等。
• PHARMACEUTICAL COMPOSITION
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1813284A1

  公开（公告）日：2007-08-01

  The present invention provides a pharmaceutical composition comprising (a) a phosphodiesterase (PDE)-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) an immunosuppressant, a therapeutic and/or preventive agent for chronic skin diseases comprising (a) a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) an immunosuppressant, a therapeutic and/or preventive agent for chronic skin diseases to be administered simultaneously or separately with an interval comprising (a) a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) an immunosuppressant, as active ingredients,; and the like.

  本发明提供了一种药物组合物，包含(a)磷酸二酯酶(PDE)-IV抑制剂或其药学上可接受的盐和(b)免疫抑制剂，一种用于慢性皮肤病的治疗和/或预防剂，包含(a)PDE-IV抑制剂或其药学上可接受的盐和(b)免疫抑制剂、一种用于慢性皮肤病的治疗和/或预防剂，可同时或分别与一种间隔给药，其活性成分包括(a) 一种 PDE-IV 抑制剂或其药学上可接受的盐和(b) 一种免疫抑制剂；等。
• Therapeutic And/Or Preventive Agents For Chronic Skin Diseases
  申请人：Harada Daisuke

  公开号：US20070287689A1

  公开（公告）日：2007-12-13

  The present invention provides: a therapeutic and/or preventive agent for chronic skin diseases which comprises (a) a phosphodiesterase (PDE)-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) a steroid agent as active ingredients; a therapeutic and/or preventive agent for chronic skin diseases to be administered simultaneously or separately with an interval which comprises (a) a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) a steroid agent, as active ingredients; a kit for treating and/or preventing chronic skin diseases characterized by comprising (a) a first component comprising a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) a second component comprising a steroid agent; and the like.