(1R,2S)-N-{[(2R,3R)-3-carboxy-2,3-dihydroxypropanoyl]oxy}-2-phenylcyclopropan-1-aminium

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,2S)-N-{[(2R,3R)-3-carboxy-2,3-dihydroxypropanoyl]oxy}-2-phenylcyclopropan-1-aminium
• 英文别名: Cyclopropanamine, 2-phenyl-, (1R,2S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)；(2R,3R)-2,3-dihydroxybutanedioic acid;(1R,2S)-2-phenylcyclopropan-1-amine
• 化学式: C₄H₆O₆*C₉H₁₁N
• 分子量: 283.281
• InChiKey: BMMYXZOHOQZKPZ-YFQRKTQFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.67
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1R,2S)-N-{[(2R,3R)-3-carboxy-2,3-dihydroxypropanoyl]oxy}-2-phenylcyclopropan-1-aminium 在 sodium hydroxide 作用下， 以 乙醚 、 水 为溶剂， 生成 (1R,2S)-2-苯基环丙胺
  参考文献：
  名称：

  Identification of MK-5710 ((8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclo- propyl]-N-(1-phenyl-1H-pyrazol-5-yl)hexahydro-imidazo[1,5-a]pyrazine-7(1H)-carboxamide), a potent smoothened antagonist for use in Hedgehog pathway dependent malignancies, Part 2

  摘要：

  The Hedgehog (Hh-) signaling pathway is a key developmental pathway which gets reactivated in many human tumors, and smoothened (Smo) antagonists are emerging as novel agents for the treatment of malignancies dependent on the Hh-pathway, with the most advanced compounds demonstrating encouraging results in initial clinical trials. A novel series of potent bicyclic hydantoin Smo antagonists was reported in the preceding article, these have been resolved, and optimized to identify potent homochiral derivatives with clean off-target profiles and good pharmacokinetic properties in preclinical species. While showing in vivo efficacy in mouse allograft models, unsubstituted bicyclic tetrahydroimidazo[1,5-a]pyrazine-1,3(2H,5H)-diones were shown to epimerize in plasma. Alkylation of the C-8 position blocks this epimerization, resulting in the identification of MK-5710 (47) which was selected for further development. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.023
• 作为产物：
  描述：

  反苯环丙胺盐酸盐 在 碳酸氢钠 作用下， 以 乙醇 、 水 、 异丙醇 为溶剂， 反应 6.33h， 生成 (1R,2S)-N-{[(2R,3R)-3-carboxy-2,3-dihydroxypropanoyl]oxy}-2-phenylcyclopropan-1-aminium
  参考文献：
  名称：

  [EN] PIPERIDINE UREA DERIVATIVES AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS
  [FR] DÉRIVÉS D'URÉE DE PIPÉRIDINE UTILISÉS EN TANT QU'INHIBITEURS D'ÉPOXYDE HYDROLASE SOLUBLE

  摘要：

  Described herein are novel piperidine urea derived compounds and their pharmaceutical compositions for the treatment of conditions and diseases mediated by soluble epoxide hydrolase.

  公开号：

  WO2022221493A1

文献信息

• LSD1 Inhibitors
  申请人：Mirati Therapeutics, Inc.

  公开号：US20170183308A1

  公开（公告）日：2017-06-29

  The present invention relates to compounds that inhibit LSD1 activity. In particular, the present invention relates to compounds, pharmaceutical compositions and methods of use, such as methods of treating cancer using the compounds and pharmaceutical compositions of the present invention.

  本发明涉及抑制LSD1活性的化合物。具体而言，本发明涉及化合物、药物组合物和使用方法，例如使用本发明的化合物和药物组合物治疗癌症的方法。
• [EN] LSD1 INHIBITORS<br/>[FR] INHIBITEURS DE LSD1
  申请人：MIRATI THERAPEUTICS INC

  公开号：WO2017079476A1

  公开（公告）日：2017-05-11

  The present invention relates to compounds that inhibit LSD1 activity. In particular, the present invention relates to compounds, pharmaceutical compositions and methods of use, such as methods of treating cancer using the compounds and pharmaceutical compositions of the present invention.

  本发明涉及抑制LSD1活性的化合物。具体而言，本发明涉及化合物、药物组合物和使用方法，例如使用本发明的化合物和药物组合物治疗癌症的方法。
• Triazolo(4,5-d)pyrimidine compounds
  申请人：AstraZeneca AB

  公开号：US06369064B1

  公开（公告）日：2002-04-09

  Triazolo[4,5-d]pyrimidine compounds are provided of the formula (I) wherein R1, R2, R3, R4, R5 and R6 are as defined in the specification. Compositions containing the compounds are also provided, together with processes for their preparation and methods of use in the treatment of diseases, including myocardial infarction and unstable angina.

  提供了Triazolo[4,5-d]嘧啶化合物，其化学式为(I)，其中R1、R2、R3、R4、R5和R6如规范中所定义。还提供了含有这些化合物的组合物，以及用于它们的制备方法和在治疗疾病中的使用方法，包括心肌梗死和不稳定性心绞痛。
• NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS
  申请人：AstraZeneca UK Limited

  公开号：EP1056749B1

  公开（公告）日：2003-02-19
• US6369064B1
  申请人：——

  公开号：US6369064B1

  公开（公告）日：2002-04-09