5-(7-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one hydrochloride | 1083088-57-6

• 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: 5-(7-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one hydrochloride
• 英文别名: 5-(7-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2-(piperidin-4-yl)-2,4-dihydro-3H-pyrazol-3-one hydrochloride；5-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-4,4-dimethyl-2-piperidin-4-ylpyrazol-3-one;hydrochloride
• CAS: 1083088-57-6
• 化学式: C₂₁H₂₉N₃O₃*ClH
• 分子量: 407.94
• InChiKey: KLXBRFJLUQQCEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  63.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(7-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one hydrochloride 、 氯乙酸酐 生成 2-[1-(chloroacetyl)piperidin-4-yl]-5-(7-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-di methyl-2,4-di hydro-3H-pyrazol-3-one
  参考文献：
  名称：

  PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS

  摘要：

  化合物1-(2-{4-[3-(3,4-二甲氧基苯基)-4,4-二甲基-5-氧代-4,5-二氢-1H-吡唑-1-基]哌啶-1-基}-2-氧代乙基)吡咯烷-2,5-二酮是一种新型有效的第4型磷酸二酯酶抑制剂，可用于治疗银屑病或特应性皮炎。

  公开号：

  US20140378509A1

文献信息

• [EN] NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRAZOLONE ET LEUR UTILISATION COMME INHIBITEURS DE LA PD4
  申请人：NYCOMED GMBH

  公开号：WO2010055083A1

  公开（公告）日：2010-05-20

  The compounds of formula (1) wherein R1 represents a phenyl derivative of formulae (a), (b) or (c) R10 is 1-3C-alkyl and R11 is 1-3C-alkyl, or R10 and R11 together with the carbon atom, to which they are bonded, form a spiro-linked 3-, 4-, 5- or 6-membered hydrocarbon ring, A is C(O) or S(O)2, and R12 is phenyl, naphthalenyl, pyridinyl, quinolinyl, isoquinolinyl, quinoxalinyl, 1,6-naphthyridinyl, 1,8-naphthyridinyl, indolyl, phenyl substituted by R13, R14, R15 and R16, pyridinyl substituted by R17 and R18, naphthalenyl substituted by R19 and R20, quinolinyl substituted by R21 or indolyl substituted by R22, are novel effective inhibitors of the type 4 phosphodiesterase.

  式（1）中的化合物，其中R1代表式（a）、（b）或（c）的苯基衍生物，R10是1-3C-烷基，R11是1-3C-烷基，或者R10和R11与它们结合的碳原子一起形成螺环连接的3、4、5或6元烃环，A是C（O）或S（O）2，R12是苯基、萘基、吡啶基、喹啉基、异喹啉基、喹喙啉基、1,6-萘啶基、1,8-萘啶基、吲哚基、被R13、R14、R15和R16取代的苯基、被R17和R18取代的吡啶基、被R19和R20取代的萘基、被R21取代的喹啉基或被R22取代的吲哚基，是一种新型有效的第4型磷酸二酯酶抑制剂。
• NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS
  申请人：Schlemminger Imre

  公开号：US20110218201A1

  公开（公告）日：2011-09-08

  The compounds of Formula (I), are novel effective inhibitors of the type 4 phosphodiesterase.

  化合物式(I)的化合物是一种新颖有效的第4型磷酸二酯酶抑制剂。
• Pyrazolone derivatives as PDE4 inhibitors
  申请人：Nycomed GmbH

  公开号：US08304436B2

  公开（公告）日：2012-11-06

  The compounds of a certain formula 1, in which R1, R7, R8, R9 and n have the meanings as given in the description, are novel effective inhibitors of the type 4 phosphodiesterase.

  某种化学式为1的化合物，其中R1、R7、R8、R9和n的含义如说明中所述，是一种新型有效的第4型磷酸二酯酶抑制剂。
• Pyrazolone-derivatives and their use as PDE-4 inhibitors
  申请人：Schlemminger Imre

  公开号：US08609848B2

  公开（公告）日：2013-12-17

  The compounds of Formula (I), are novel effective inhibitors of the type 4 phosphodiesterase.

  化合物I式，是一种新型有效的第4型磷酸二酯酶抑制剂。
• Pyrazolone-derivatives as PDE4 inhibitors
  申请人：Nycomed GmbH

  公开号：EP2402330A1

  公开（公告）日：2012-01-04

  Fixed combination, non-fixed combination or kit of parts comprising 1-(2-4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, metformin or a pharmaceutically acceptable salt of metformin, and at least one pharmaceutically acceptable auxiliary.

  包含 1-(2-4-[3-(3,4-二甲氧基苯基)-4,4-二甲基-5-氧代-4,5-二氢-1H-吡唑-1-基]哌啶-1-基}-2-氧代乙基)吡咯烷-2,5-二酮、二甲双胍或二甲双胍的药学上可接受的盐，以及至少一种药学上可接受的助剂的固定组合物、非固定组合物或部件试剂盒。