4-oxospiro[chroman-2,4'-piperidine]-6-carboxylic acid carbamoylmethyl amide hydrochloride | 921760-87-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-oxospiro[chroman-2,4'-piperidine]-6-carboxylic acid carbamoylmethyl amide hydrochloride
• 英文别名: N-Carbamoylmethyl-4-oxospiro[chroman-2,4'-piperidine]-6-carboxamide hydrochloride；N-(2-amino-2-oxoethyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide;hydrochloride
• CAS: 921760-87-4
• 化学式: C₁₆H₁₉N₃O₄*ClH
• 分子量: 353.805
• InChiKey: OJFVJXWKFFQGFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.41
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  111
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-oxospiro[chroman-2,4'-piperidine]-6-carboxylic acid carbamoylmethyl amide hydrochloride 、 3,5-diethoxy-4-(1-methyl-1H-pyrazol-4-yl)benzoic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 N-carbamoylmethyl-1'-{[3,5-diethoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]carbonyl}-4-oxospiro[chroman-2,4'-piperidine]-6-carboxamide
  参考文献：
  名称：

  WO2008/88692

  摘要：

  公开号：

文献信息

• Substituted spirochromanone derivatives
  申请人：Iino Tomoharu

  公开号：US20080171761A1

  公开（公告）日：2008-07-17

  The invention relates to a compound of a general formula (I): wherein Ar 1 represents a group formed from an aromatic ring selected from a group consisting of indole, 1H-indazole, 2H-indazole, 1H-thieno[2,3-c]pyrazole, 1H-pyrazolo[3,4-b]pyridine, benzo[b]furan, benzimidazole, benzoxazole, 1,2-benzisoxazole and imidazo[1,2-a]pyridine; R 1 and R 2 each represent a hydrogen atom, a halogen atom, a cyano group, a C2-C6 alkenyl group, a C1-C6 alkoxy group, a halo-C1-C6 alkoxy group, a cyclo-C3-C6 alkyloxy group, a C2-C7 alkanoyl group, a halo-C2-C7 alkanoyl group, a C2-C7 alkoxycarbonyl group, a halo-C2-C7 alkoxycarbonyl group, a cyclo-C3-C6 alkyloxycarbonyl group, an aralkyloxycarbonyl group, a carbamoyl-C1-C6 alkoxy group, a carboxy-C2-C6 alkenyl group, or a group of -Q 1 -N(R a )-Q 2 -R b ; an optionally-substituted C1-C6 alkyl, aryl or heterocyclic group; or a C1-C6 alkyl or C2-C6 alkenyl group having the aryl or heterocyclic group; R 3 and R 4 each represent a hydrogen atom, a halogen atom, a nitro group, a cyclo-C3-C6 alkyl group, a carbamoyl group optionally substituted with a C1-C6 alkyl or cyclo-C3-C6 alkyl group, or a group of —N(R e )R f ; an optionally-substituted C2-C7 alkanoyl, C1-C6 alkoxy, C2-C7 alkoxycarbonyl, cyclo-C3-C6 alkyloxycarbonyl, C1-C6 alkylsulfonyl, C1-C6 alkylthio, cyclo-C3-C6 alkyloxy, cyclo-C3-C6 alkyl-C1-C6 alkoxy, cyclo-C3-C6 alkylsulfonyl, cyclo-C3-C6 alkylthio or cyclo-C3-C6 alkyl-C1-C6 alkylthio group; or an optionally-substituted C1-C6 alkyl group; T and U each represent a nitrogen atom or a methine group; and V represents an oxygen atom or a sulfur atom. The compound of the invention is useful as therapeutical agents for various ACC-related diseases.

  该发明涉及一般式(I)的化合物：其中Ar1代表从吲哚、1H-吲唑、2H-吲唑、1H-噻吩[2,3-c]吡唑、1H-吡唑并[3,4-b]吡啶、苯并[b]呋喃、苯并咪唑、苯并噁唑、1,2-苯并异噁唑和咪唑并[1,2-a]吡啶中选择的芳香环形成的基团；R1和R2各自代表氢原子、卤素原子、氰基、C2-C6烯基基团、C1-C6烷氧基团、卤代C1-C6烷氧基团、环-C3-C6烷氧基团、C2-C7烷酰基团、卤代C2-C7烷酰基团、C2-C7烷氧羰基团、卤代C2-C7烷氧羰基团、环-C3-C6烷氧羰基团、芳基烷氧羰基团、氨基-C1-C6烷氧基团、羧基-C2-C6烯基基团，或-Q1-N(Ra)-Q2-Rb的基团；一个可选择取代的C1-C6烷基、芳基或杂环基团；或具有芳基或杂环基团的C1-C6烷基或C2-C6烯基基团；R3和R4各自代表氢原子、卤素原子、硝基基团、环-C3-C6烷基团、可选择取代的C1-C6烷基或环-C3-C6烷基团的氨基羰基，或—N(Re)Rf的基团；一个可选择取代的C2-C7烷酰基、C1-C6烷氧基、C2-C7烷氧羰基、环-C3-C6烷氧羰基、C1-C6烷基磺酰基、C1-C6烷硫基、环-C3-C6烷氧基、环-C3-C6烷基-C1-C6烷氧基、环-C3-C6烷基磺酰基、环-C3-C6烷基硫基或环-C3-C6烷基-C1-C6烷硫基团；或一个可选择取代的C1-C6烷基团；T和U各自代表氮原子或亚甲基基团；V代表氧原子或硫原子。该发明的化合物可用作治疗各种与ACC相关的疾病的治疗剂。
• Novel spirochromanone derivatives
  申请人：Yamakawa Takeru

  公开号：US20070021453A1

  公开（公告）日：2007-01-25

  The invention relates to a compound of a formula (I): or a pharmaceutically acceptable salt or ester thereof, useful as a therapeutic agent for various ACC-related disorders.

  该发明涉及一种公式（I）的化合物，或其药学上可接受的盐或酯，用作治疗各种与ACC相关的疾病的治疗剂。
• SPIROCHROMANON DERIVATIVES
  申请人：Iino Tomoharu

  公开号：US20090270436A1

  公开（公告）日：2009-10-29

  The invention relates to a compound of a general formula (I): wherein Ar1 represents a group formed from an aromatic ring selected from a group consisting of benzene, pyrazole, isoxazole, pyridine, indole, 1H-indazole, 1H-furo[2,3-c]pyrazole, 1H-thieno[2,3-c]pyrazole, benzimidazole, 1,2-benzisoxazole, imidazo[1,2-a]pyridine, imidazo[1,5-a]pyridine and 1H-pyrazolo[3,4-b]pyridine, having Ar2, and optionally having one or two or more substituents selected from R3: R1 and R2 each independently represent a hydrogen atom, a halogen atom, a cyano group, a C2-C6 alkenyl group, a C1-C6 alkoxy group, a C2-C7 alkanoyl group, a C2-C7 alkoxycarbonyl group, an aralkyloxycarbonyl group, a carbamoyl-C1-C6 alkoxy group, a carboxy-C2-C6 alkenyl group, or a group of -Q1-N(Ra)-Q2-Rb; or a C1-C6 alkyl group optionally having a substituent; or an aryl or heterocyclic group optionally having a substituent; or a C1-C6 alkyl group or a C2-C6 alkenyl group having the aryl or heterocyclic group; T and U each independently represent a nitrogen atom or a machine group; and V represents an oxygen atom or a sulfur atom. The compound of the invention is useful as therapeutical agents for various ACC-related diseases.

  本发明涉及一种通式（I）的化合物：其中Ar1代表从苯，吡唑，异噁唑，吡啶，吲哚，1H-吲唑，1H-呋喃[2,3-c]吡唑，1H-噻吩[2,3-c]吡唑，苯并咪唑，1,2-苯并异噁唑，咪唑并[1,2-a]吡啶，咪唑并[1,5-a]吡啶和1H-吡唑并[3,4-b]吡啶中选择的芳香环形成的基团，具有Ar2，并且可选地具有一个、两个或更多从R3中选择的取代基：R1和R2各自独立地表示氢原子，卤素原子，氰基，C2-C6烯基基团，C1-C6烷氧基团，C2-C7烷酰基基团，C2-C7烷氧羰基基团，芳基烷氧羰基基团，氨基-C1-C6烷氧基团，羧基-C2-C6烯基基团或-Q1-N（Ra）-Q2-Rb基团；或者是一个可选具有取代基的C1-C6烷基基团；或者是一个可选具有取代基的芳基或杂环基团；或者是一个具有芳基或杂环基团的C1-C6烷基或C2-C6烯基基团；T和U各自独立地表示氮原子或机器基团；V表示氧原子或硫原子。本发明的化合物可用作治疗各种ACC相关疾病的治疗剂。
• Spirochromanone derivatives
  申请人：Merck & Co., Inc.

  公开号：US07410976B2

  公开（公告）日：2008-08-12

  The invention relates to a compound of a formula (I): or a pharmaceutically acceptable salt or ester thereof, useful as a therapeutic agent for various ACC-related disorders.

  本发明涉及一种式(I)的化合物，或其药学上可接受的盐或酯，作为治疗各种与ACC相关的疾病的治疗剂。
• Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07935712B2

  公开（公告）日：2011-05-03

  The invention relates to a compound of a formula (I): or a pharmaceutically acceptable salt or ester thereof, useful as a therapeutic agent for various ACC-related disorders.

  本发明涉及一种式（I）的化合物，或其药学上可接受的盐或酯，用作治疗各种与ACC相关的疾病的治疗剂。