methyl (1S,2S)-2-(carbonochloridoyl)cyclopropane-1-carboxylate | 1464924-75-1

• 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: methyl (1S,2S)-2-(carbonochloridoyl)cyclopropane-1-carboxylate
• 英文别名: (1S,2S)-Methyl 2-(carbonochloridoyl)cyclopropane-1-carboxylate；methyl (1S,2S)-2-carbonochloridoylcyclopropane-1-carboxylate
• CAS: 1464924-75-1
• 化学式: C₆H₇ClO₃
• 分子量: 162.573
• InChiKey: VOUXEEDGGBGRHN-IMJSIDKUSA-N

物化性质

• 沸点：
  188.5±33.0 °C(Predicted)
• 密度：
  1.389±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl (1S,2S)-2-(carbonochloridoyl)cyclopropane-1-carboxylate 在 ammonium hydroxide 、 1-羟基苯并三唑 、 1,2-二氯乙烷 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 3.83h， 生成 (1S,2S)-2-[(3-chloro-4-cyclopropoxyphenyl)carbonyl]cyclopropane-1-carboxamide
  参考文献：
  名称：

  [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES, ET PROCÉDÉS D'UTILISATION DE CEUX-CI

  摘要：

  本文描述了某些化合物，或其药学上可接受的盐或前药、含有这些化合物的药物组合物以及治疗对抑制KMO活性有反应的某些疾病和障碍患者的方法，这些方法包括向此类患者施用至少一种本文所述的化合物，或其药学上可接受的盐或前药的有效量，以减轻疾病或障碍的体征或症状。这些疾病包括亨廷顿病等神经退行性疾病。

  公开号：

  WO2013151707A1
• 作为产物：
  描述：

  反-1,2-环丙烷二羧酸二乙酯 在 草酰氯 、 硫酸 、 氨 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 甲醇 、 aq. phosphate buffer 、 丙酮 为溶剂， 反应 107.0h， 生成 methyl (1S,2S)-2-(carbonochloridoyl)cyclopropane-1-carboxylate
  参考文献：
  名称：

  （±）-反式-环丙烷-1,2-二羧酸†衍生的酰胺酯和二酰胺的对映选择性细菌水解作用†

  摘要：

  由可商购获得的（±）-反式-环丙烷-1，2-二羧酸二乙酯制备衍生自反式-环丙烷-1，2-二羧酸的不同光学活性的酰胺基酯，混合酸酯，酰胺酸和二酰胺。关键步骤是杜鹃红球菌IFO 15564催化水解相应的外消旋酰胺。该微生物中存在的酰胺酶对这些底物表现出中等至高的对映选择性。另外，一些酶法制备的环丙烷羧酸的简单有效的库尔修斯重排使我们能够以高收率和对映体过量获得旋光性β-氨基环丙烷羧酸衍生物。

  DOI：

  10.1039/c3ob42066c

文献信息

• Glycoside derivatives of 2-(3,4-dichlorobenzoyl)-cycopropane-1-carboxylic acid
  申请人：Newron Pharmaceuticals S.p.A.

  公开号：EP1475385A1

  公开（公告）日：2004-11-10

  The compounds of formula I:    wherein R is a glycoside residue optionally having one or more hydroxy groups alkylated or acylated by C1-C4 alkyl or acyl groups, are long lasting inhibitors of kynurenine 3-monooxygenase (KMO) and potent glutamate (GLU) release inhibitors.

  式I化合物：其中R是糖苷残基，该糖苷残基任选地具有一个或多个羟基，这些羟基被C1-C4烷基或酰基团烷基化或酰基化，是长效的犬尿氨酸3-单加氧酶（KMO）抑制剂和强效的谷氨酸（GLU）释放抑制剂。
• [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：CHDI FOUNDATION INC

  公开号：WO2015047978A1

  公开（公告）日：2015-04-02

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, are provided herein. Also provided are pharmaceutical compositions comprising at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease.

  本文提供了某些化合物，或其药用可接受的盐或前药。还提供了包括至少一种在此描述的化合物，或其药用可接受的盐或前药以及一个或多个药用可接受的载体的药物组合物。描述了治疗对KMO活性抑制敏感的某些疾病和紊乱的方法，包括向这些患者施用至少一种在此描述的化合物，或其药用可接受的盐或前药的量，有效减少疾病或紊乱的症状。这些疾病包括亨廷顿病等神经退行性疾病。
• [EN] 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES<br/>[FR] COMPOSÉS DE 5- ET 6-AZAINDOLE POUR L'INHIBITION DE TYROSINE KINASES BCR-ABL
  申请人：ENLIVEN THERAPEUTICS INC

  公开号：WO2022076975A1

  公开（公告）日：2022-04-14

  The present disclosure relates to compounds and compositions for inhibition of Bcr- Abl tyrosine kinases, methods of preparing said compounds and compositions, and their use in the treatment of various cancers, such as chronic myeloid leukemia (CML).

  本公开涉及抑制Bcr-Abl酪氨酸激酶的化合物和组合物，制备该化合物和组合物的方法，以及它们在治疗各种癌症，如慢性髓细胞白血病（CML）中的应用。
• KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：CHDI FOUNDATION, INC.

  公开号：US20150057238A1

  公开（公告）日：2015-02-26

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, are provided herein. Also provided are pharmaceutical compositions comprising at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease. Also described are methods of treatment include administering at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein as a single active agent or administering at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化合物，或其药学上可接受的盐或前药。还提供了包含至少一种化合物或其药学上可接受的盐或前药及一种或多种药学上可接受的载体的制药组合物。本文描述了治疗对KMO活性抑制有反应的某些疾病和障碍的患者的方法，包括向这些患者施用至少一种本文所述的化合物或其药学上可接受的盐或前药的有效量，以减少疾病或障碍的症状。这些疾病包括神经退行性疾病，如亨廷顿病。本文还描述了治疗方法，包括将至少一种本文所述的化合物或其药学上可接受的盐或前药作为单一活性剂施用，或将至少一种本文所述的化合物或其药学上可接受的盐或前药与一种或多种其他治疗剂联合施用。还提供了筛选能够抑制KMO活性的化合物的方法。
• Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof
  申请人：CHDI Foundation, Inc.

  公开号：US10442782B2

  公开（公告）日：2019-10-15

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, are provided herein. Also provided are pharmaceutical compositions comprising at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease. Also described are methods of treatment include administering at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein as a single active agent or administering at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化合物或其药学上可接受的盐或原药。还提供了包含至少一种本文所述化合物或其药学上可接受的盐或原药以及一种或多种药学上可接受的载体的药物组合物。描述了治疗对抑制 KMO 活性有反应的某些疾病和失调患者的方法，其中包括向此类患者施用一定量的本文所述的至少一种化合物或其药学上可接受的盐或原药，以有效减少疾病或失调的体征或症状。这些疾病包括神经退行性疾病，如亨廷顿氏病。还描述了治疗方法，包括将本文所述的至少一种化合物或其药学上可接受的盐或原药作为单一活性剂给药，或将本文所述的至少一种化合物或其药学上可接受的盐或原药与一种或多种其它治疗剂联合给药。还提供了筛选能够抑制 KMO 活性的化合物的方法。