2-(1-methylcyclobutyl)acetic acid | 146723-08-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 2-(1-methylcyclobutyl)acetic acid
• CAS: 146723-08-2
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: APMQPNZCBUJAAT-UHFFFAOYSA-N

物化性质

• 沸点：
  221.0±8.0 °C(Predicted)
• 密度：
  1.054±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(1-methylcyclobutyl)acetic acid 、 (3aS,4R,6S,6aS)-6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carbonitrile 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙腈 为溶剂， 生成 ((3aS,4R,6S,6aS)-6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl 2-(1-methylcyclobutyl)acetate
  参考文献：
  名称：

  WO2023/168194

  摘要：

  公开号：

文献信息

• 3-Carbamoyl-2-Pyridone Derivative
  申请人：Ishizuka Natsuki

  公开号：US20080103139A1

  公开（公告）日：2008-05-01

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 is optionally substituted C1-C8 alkyl and the like; R 2 is C1-C6 alkyl; R 3 is C1-C6 alkyl and the like; or R 2 and R 3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R 4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R 5 is hydrogen and the like; X 1 is a single bond and the like; X 2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of —O—, or —N(R 6 )—, wherein R 6 is hydrogen and the like, and the like; X 3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的作用的化合物，其由式（I）表示：其中，R1是可选取的取代的C1-C8烷基等；R2是C1-C6烷基；R3是C1-C6烷基等；或R2和R3共同形成可选取代的5至10个成员的非芳香碳环；R4是氢等；G是由式等所示的基团中选取的基团：其中，R5是氢等；X1是单键等；X2是可选取代的C1-C8烷基，可以被一或两个-O-或-N（R6）-的基团替代，其中R6是氢等；X3是单键等；其药学上可接受的盐或其溶剂，以及制药组合物、治疗特应性皮炎的制剂和抗瘙痒剂，特别是口服和外用的抗瘙痒剂，每种制剂均以所述化合物为活性成分。
• NOVEL BISPHOSPHONIC ACID COMPOUND
  申请人：Fuji Yakuhin Co., Ltd.

  公开号：EP3409679A1

  公开（公告）日：2018-12-05

  It is intended to provide a novel bisphosphonic acid compound or a salt thereof which shows a remarkable inhibitory effect on ectopic calcification, and a pharmaceutical composition comprising the same. The present invention provides a bisphosphonic acid compound represented by the following formula (1) or a pharmaceutically acceptable salt thereof: wherein ------- represents a single bond or a double bond; A represents a saturated cyclic hydrocarbon or a saturated heterocyclic ring comprising a sulfur atom or an oxygen atom; and R1 and R2 each independently represent an alkyl group, an alkenyl group, an alkynyl group, an alkoxy group, an aryloxy group, a haloalkoxy group, a haloalkyl group, a halogen atom or a hydrogen atom.

  本发明旨在提供一种对异位钙化具有显著抑制作用的新型双膦酸化合物或其盐，以及由其组成的药物组合物。本发明提供了由下式（1）代表的双膦酸化合物或其药学上可接受的盐： 其中 ------- 代表单键或双键；A 代表饱和环状烃或包含硫原子或氧原子的饱和杂环；R1 和 R2 各自独立地代表烷基、烯基、炔基、烷氧基、芳氧基、卤代烷氧基、卤代烷基、卤原子或氢原子。
• Bisphosphonic acid compound
  申请人：FUJIYAKUHIN CO., LTD.

  公开号：US10689408B2

  公开（公告）日：2020-06-23

  It is intended to provide a novel bisphosphonic acid compound or a salt thereof which shows a remarkable inhibitory effect on ectopic calcification, and a pharmaceutical composition comprising the same. The present invention provides a bisphosphonic acid compound represented by the following formula (1) or a pharmaceutically acceptable salt thereof: wherein represents a single bond or a double bond; A represents a saturated cyclic hydrocarbon or a saturated heterocyclic ring comprising a sulfur atom or an oxygen atom; and R1 and R2 each independently represent an alkyl group, an alkenyl group, an alkynyl group, an alkoxy group, an aryloxy group, a haloalkoxy group, a haloalkyl group, a halogen atom or a hydrogen atom.

  本发明旨在提供一种对异位钙化具有显著抑制作用的新型双膦酸化合物或其盐，以及由其组成的药物组合物。本发明提供了由下式（1）代表的双膦酸化合物或其药学上可接受的盐： 其中代表单键或双键；A 代表饱和环状烃或包含硫原子或氧原子的饱和杂环；R1 和 R2 各自独立地代表烷基、烯基、炔基、烷氧基、芳氧基、卤代烷氧基、卤代烷基、卤原子或氢原子。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1806342B1

  公开（公告）日：2013-04-17
• NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES
  申请人：Inhibikase Therapeutics, Inc.

  公开号：EP2903979B1

  公开（公告）日：2020-08-19