3H-螺[苯并呋喃-2,4'-哌啶]-3-酮盐酸盐 | 1047657-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 3H-螺[苯并呋喃-2,4'-哌啶]-3-酮盐酸盐
• 英文名称: 3H-spiro[1-benzofuran-2,4'-piperidin]-3-one hydrochloride
• 英文别名: spiro[1-benzofuran-2,4'-piperidine]-3-one;hydrochloride
• CAS: 1047657-69-1
• 化学式: C₁₂H₁₃NO₂*ClH
• 分子量: 239.702
• InChiKey: LABRYJXYBQZFMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.81
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3H-螺[苯并呋喃-2,4'-哌啶]-3-酮盐酸盐 在 硼烷四氢呋喃络合物 、 tetraethyl titanate 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 76.5h， 生成
  参考文献：
  名称：

  [EN] HETEROTRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF
  [FR] COMPOSÉ HÉTÉROTRICYCLIQUE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  [ZH] 一种杂三环类化合物及其制备方法和应用

  摘要：

  涉及如式（I）所示的杂三环类化合物、其制备方法及其应用。该化合物是SHP2抑制剂。还涉及包含所述化合物作为活性成分的药物组合物，其可用于治疗和/或预防SHP2蛋白活性异常相关的疾病。

  公开号：

  WO2022033430A1
• 作为产物：
  描述：

  tert-butyl 3-oxo-3H-spiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 以98.7%的产率得到3H-螺[苯并呋喃-2,4'-哌啶]-3-酮盐酸盐
  参考文献：
  名称：

  [EN] HETEROTRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF
  [FR] COMPOSÉ HÉTÉROTRICYCLIQUE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  [ZH] 一种杂三环类化合物及其制备方法和应用

  摘要：

  涉及如式（I）所示的杂三环类化合物、其制备方法及其应用。该化合物是SHP2抑制剂。还涉及包含所述化合物作为活性成分的药物组合物，其可用于治疗和/或预防SHP2蛋白活性异常相关的疾病。

  公开号：

  WO2022033430A1

文献信息

• SPIRO COMPOUND AND USE THEREOF
  申请人：Taniguchi Takahiko

  公开号：US20100069351A1

  公开（公告）日：2010-03-18

  The present invention aims to provide a novel SCD inhibitor. The present invention relate to SCD inhibitor comprising A compound represented by the formula (I) wherein R is an optionally substituted cyclic group or an optionally substituted carbamoyl group, provided that R is not an optionally substituted 7-pyrido[2,3-d]pyrimidyl group; ring A is an optionally further substituted pyridazine ring; R 1 , R 2 , R 3 , R 4 , R 11 , R 12 , R 13 and R 14 are each independently a hydrogen atom or a substituent, or R 1 and R 11 in combination, R 2 and R 12 in combination, R 3 and R 13 in combination, or R 4 and R 14 in combination optionally form an oxo group, or R 2 and R 4 in combination optionally form a bond or an alkylene cross-linkage; m and n are each independently an integer of 0 to 2; ring B is an optionally substituted ring, provided that the two atoms constituting ring B, which are adjacent to the spiro carbon atom, are not oxygen atoms at the same time, or a salt thereof, or a prodrug thereof.

  本发明旨在提供一种新型SCD抑制剂。本发明涉及一种包括下式（I）所表示的化合物的SCD抑制剂：其中R是一个可选择取代的环基或可选择取代的氨甲酰基，但R不是一个可选择取代的7-吡啶并[2,3-d]嘧啶基团；环A是一个可选择进一步取代的吡啶并嘧啶环；R1、R2、R3、R4、R11、R12、R13和R14分别独立地是氢原子或取代基，或R1和R11的组合体，R2和R12的组合体，R3和R13的组合体，或R4和R14的组合体可选择形成氧基，或R2和R4的组合体可选择形成键或烷基交联；m和n分别独立地是0到2的整数；环B是一个可选择取代的环，但构成环B的两个与螺碳原子相邻的原子不同时为氧原子，或其盐，或其前药。
• Spiro compounds having stearoyl-CoA desaturase action
  申请人：Taniguchi Takahiko

  公开号：US08575167B2

  公开（公告）日：2013-11-05

  The present invention aims to provide a novel SCD inhibitor. The present invention relate to SCD inhibitor comprising A compound represented by the formula (I) wherein R is an optionally substituted cyclic group or an optionally substituted carbamoyl group, provided that R is not an optionally substituted 7-pyrido[2,3-d]pyrimidyl group; ring A is an optionally further substituted pyridazine ring; R1, R2, R3, R4, R11, R12, R13 and R14 are each independently a hydrogen atom or a substituent, or R1 and R11 in combination, R2 and R12 in combination, R3 and R13 in combination, or R4 and R14 in combination optionally form an oxo group, or R2 and R4 in combination optionally form a bond or an alkylene cross-linkage; m and n are each independently an integer of 0 to 2; ring B is an optionally substituted ring, provided that the two atoms constituting ring B, which are adjacent to the spiro carbon atom, are not oxygen atoms at the same time, or a salt thereof, or a prodrug thereof.

  本发明旨在提供一种新型SCD抑制剂。本发明涉及一种包括式(I)所表示的化合物的SCD抑制剂，其中R是一个可选取的取代环基团或可选取的取代的氨基甲酰基基团，但R不能是一个可选取的取代的7-吡啶并[2,3-d]嘧啶基团；环A是一个可选取的进一步取代的吡啶并咪唑环；R1、R2、R3、R4、R11、R12、R13和R14各自独立地是氢原子或取代基，或者R1和R11组合、R2和R12组合、R3和R13组合、或R4和R14组合可以选择形成一个氧代基，或R2和R4组合可以选择形成一个键或一个烷基交联；m和n各自独立地是0到2的整数；环B是一个可选取的取代环，但构成环B的两个相邻于螺碳原子的原子不同时为氧原子；或其盐或前药。
• Novel spiropiperidine-based stearoyl-CoA desaturase-1 inhibitors: Identification of 1′-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-5-(trifluoromethyl)-3,4-dihydrospiro[chromene-2,4′-piperidine]
  作者：Yoshikazu Uto、Yohei Kiyotsuka、Yuko Ueno、Yuriko Miyazawa、Hitoshi Kurata、Tsuneaki Ogata、Tsuneo Deguchi、Makiko Yamada、Nobuaki Watanabe、Masahiro Konishi、Nobuya Kurikawa、Toshiyuki Takagi、Satoko Wakimoto、Keita Kono、Jun Ohsumi

  DOI：10.1016/j.bmcl.2009.11.043

  日期：2010.1

  Cyclization of the benzoylpiperidine in lead compound 2 generated a series of novel and highly potent spiropiperidine-based stearoyl-CoA desaturase (SCD)-1 inhibitors. Among them, 1'-6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-5-(trifluoromethyl)-3,4-dihydrospiro[chromene-2,4'-piperidine] (19) demonstrated the most powerful inhibitory activity against SCD-1, not only in vitro but also in vivo (C57BL/6 J mice). With regard to the pharmacological evaluation, 19 showed powerful reduction of the desaturation index in the plasma of C57BL/6 J mice on a non-fat diet after a 7-day oral administration (q.d.) without causing notable abnormalities in the eyes or skin up to the highest dose (3 mg/kg) in our preliminary analysis. (C) 2009 Elsevier Ltd. All rights reserved.
• US8575167B2
  申请人：——

  公开号：US8575167B2

  公开（公告）日：2013-11-05