4-[(2R)-2-(氯甲基)-3-甲基丁基]-1-甲氧基-2-(3-甲氧基丙氧基)苯 | 309978-00-5

• 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
• 中文名称: 4-[(2R)-2-(氯甲基)-3-甲基丁基]-1-甲氧基-2-(3-甲氧基丙氧基)苯
• 英文名称: Methyl 2-methylazetidine-2-carboxylate hydrochloride
• 英文别名: methyl 2-methylazetidine-2-carboxylate;hydrochloride
• CAS: 309978-00-5
• 化学式: C₆H₁₁NO₂*ClH
• 分子量: 165.62
• InChiKey: HKRDVTDOFOMXDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.33
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  4-[(2R)-2-(氯甲基)-3-甲基丁基]-1-甲氧基-2-(3-甲氧基丙氧基)苯 在 水 、 碳酸氢钠 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  一种嘧啶胺类化合物、其制备方法及应用

  摘要：

  本发明公开了一种多环类化合物、其制备方法及应用。本申请提供了一种如式I所示的多环类化合物或其药学上可接受的盐；该化合物对CDK7的抑制效果较佳。

  公开号：

  CN111269217B
• 作为产物：
  描述：

  2-甲基-1,2-氮杂环丁烷二甲酸 1-叔丁酯 生成 4-[(2R)-2-(氯甲基)-3-甲基丁基]-1-甲氧基-2-(3-甲氧基丙氧基)苯
  参考文献：
  名称：

  Compounds useful for the treatment of metabolic and inflammatory diseases

  摘要：

  本文披露了一些化合物，其分子式如下：这些化合物可以制备为药物组成物，并可用于哺乳动物，包括人类的预防和治疗多种疾病，例如炎症性疾病、传染性疾病、自身免疫性疾病、涉及免疫细胞功能受损的疾病、心血管代谢性疾病和/或增殖性疾病，举例而言。

  公开号：

  US08759334B2

文献信息

• [EN] AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES<br/>[FR] DÉRIVÉS D'AZÉTIDINE UTILES POUR LE TRAITEMENT DE MALADIES MÉTABOLIQUES ET INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2012098033A1

  公开（公告）日：2012-07-26

  Compounds are disclosed that have a formula represented by the following: These compounds may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example inflammatory conditions, infectious diseases, autoimmune diseases, diseases involving impairment of immune cell functions, cardiometabolic diseases, and/or proliferative diseases.

  披露了具有以下表示的公式的化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如炎症性疾病、传染病、自身免疫疾病、涉及免疫细胞功能受损的疾病、心脏代谢疾病和/或增殖性疾病，举例不限。
• A study of atypical reaction of methyl (triphenylphosphoranylidene)-acetate with 3a-substituted bicyclic β-keto-γ-sultams
  作者：Taras V. Omelian、Pavlo O. Iegorov、Anton O. Poliudov、Alexey V. Dobrydnev、Eugeniy N. Ostapchuk、Yulian M. Volovenko

  DOI：10.1007/s10593-021-02894-7

  日期：2021.2

  via the CSIC reaction strategy to give the key precursors 3a-substituted bicyclic isothiazolidin-4-one 1,1-dioxides. Further reaction with methyl (triphenylphosphoranylidene) acetate afforded the corresponding 3a-substituted 2-[(triphenylphosphonio)acetyl]-perhydro[1,2]thiazoloazahetaryl-3-olate 1,1-dioxides. The nature of the substituent at position 3a plays a crucial role in the reaction direction with

  通过CSIC反应策略，将许多带有内环氨基的2-取代的4-7元环氨基酸酯依次进行甲磺酸化和环化反应，得到关键的前体3a-取代的双环异噻唑烷-4--1，1-二氧化物。与三（三苯基膦基亚甲基）乙酸甲酯进一步反应，得到相应的3a-取代的2-[（（三苯基膦酰基）乙酰基]-过氢[1,2]噻唑并氮杂芳基-3-油酸酯1，1-二氧化物。在与该Wittig试剂的反应方向上，位置3a处的取代基的性质起着至关重要的作用。具体地，3a-未取代的对应物参与了经典的反应过程，从而提供了相应酯的预期质子混合物。
• NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES
  申请人：Sanière Laurent Raymond Maurice

  公开号：US20130303515A1

  公开（公告）日：2013-11-14

  Compounds are disclosed that have a formula represented by the following: These compounds may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example inflammatory conditions, infectious diseases, autoimmune diseases, diseases involving impairment of immune cell functions, cardiometabolic diseases, and/or proliferative diseases.

  公开了具有以下式子表示的化合物：这些化合物可以制备成药物组合物，并可用于哺乳动物，包括人类的预防和治疗，例如炎症性疾病、传染病、自身免疫疾病、涉及免疫细胞功能受损的疾病、心脏代谢疾病和/或增殖性疾病等。
• Further Evidence for 2-Alkyl-2-carboxyazetidines as γ-Turn Inducers
  作者：José Luis Baeza、Guillermo Gerona-Navarro、Kevin Thompson、M. Jesús Pérez de Vega、Lourdes Infantes、M. Teresa García-López、Rosario González-Muñiz、Mercedes Martín-Martínez

  DOI：10.1021/jo901712x

  日期：2009.11.6

  Reverse turns, it common motif in proteins and peptides, have attracted attention due to their relevance in it Wide variety of biological processes. In in attempt to artificially imitate and stabilize these turns in short peptides, we have developed versatile synthetic methodologies for the preparation of 2-alkyl-2-carboxyazetidines, and incorporated them into the i + 1 position of model tetrapeptides, where they have shown it tendency to induce gamma-turns However, to ascertain the general utility of these restricted amino acids its gamma-type reverse turn inducers, it was then required to study the conformational preferences when located at other positions. To this end, model tetrapeptides R-CO-Ala-Xaa-NHMe, containing differently Substituted azetidine moieties (Xaa = Aze, 2-MeAze, 2-BnAze) at the i + 2 position, were synthesized and Subjected to it thorough conformational analysis. The theoretical and experimental results obtained, including the X-ray diffraction structure of a dipeptide derivative containing this skeleton, provide evidence that the 2-alkyl-2-carboxyazetidine scaffold is able to efficiently induce gamma-turns when incorporated into these short peptides, irrespective of their localization in the peptide chain.
• AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES
  申请人：Galapagos NV

  公开号：EP2665704A1

  公开（公告）日：2013-11-27