(2R,4R)-REL-4-氨基-1,2-吡咯烷二羧酸1-叔丁酯2-甲酯 | 254881-77-1

• 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
• 中文名称: (2R,4R)-REL-4-氨基-1,2-吡咯烷二羧酸1-叔丁酯2-甲酯
• 中文别名: (2R,4r)-1-2-甲基4-氨基吡咯烷-1,2-二羧酸叔丁酯
• 英文名称: 1-tert-butyl 2-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate
• 英文别名: Methyl (2R,4R)-1-Boc-4-aminopyrrolidine-2-carboxylate；1-O-tert-butyl 2-O-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate
• CAS: 254881-77-1；1018667-18-9
• 化学式: C₁₁H₂₀N₂O₄
• 分子量: 244.291
• InChiKey: IOLQYMRFIIVPMQ-HTQZYQBOSA-N

物化性质

• 沸点：
  320.7±42.0 °C(Predicted)
• 密度：
  1.151

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (2R,4R)-REL-4-氨基-1,2-吡咯烷二羧酸1-叔丁酯2-甲酯 在 盐酸 、 copper(l) iodide 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 (2R,4R)-4-((3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)amino)pyrrolidine-2-carboxylic acid methyl ester hydrochloride salt
  参考文献：
  名称：

  CN116354862

  摘要：

  公开号：
• 作为产物：
  描述：

  1,2-吡咯烷二羧酸,4-[[(4-甲基苯基)磺酰]氧代]-,1-(1,1-二甲基乙基)2-甲基酯,(2R,4S)- 在 palladium on activated charcoal sodium azide 、 氢气 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 50.0 ℃ 、206.84 kPa 条件下， 反应 9.0h， 生成 (2R,4R)-REL-4-氨基-1,2-吡咯烷二羧酸1-叔丁酯2-甲酯
  参考文献：
  名称：

  N中的合成α - （嘌呤基/嘧啶基乙酰基）-4-氨基脯氨酸非对映体在合成PNA潜在用途

  摘要：

  本文介绍了一种方法，该方法是通过亚甲基桥接同一单元中的乙二胺和甘氨酸组分，从而将构象约束和手性引入PNA主链，从而生成基于4-氨基脯氨酰基主链的PNA，在C-4和C-2上具有手性。以胸腺嘧啶（T）为侧链核碱基（3a-d）的所有四个非对映异构体的合成和表征，以及与四个核碱基（10-13）中的每一个相连的立体异构体之一（2 S，4 R）的合成是描述。使用这些单体单元，可以得到两个模型二聚体（17，18）包含四个手性中心，但仅在一个位点的立体化学不同，并且这些CD数据表明在这些中手性骨架引起的碱基堆积有相当大的结构差异。

  DOI：

  10.1016/0040-4020(96)00924-6

文献信息

• [EN] SULFONAMIDE COMPOUNDS HAVING TNAP INHIBITORY ACTIVITY<br/>[FR] COMPOSÉS DE SULFONAMIDE AYANT UNE ACTIVITÉ INHIBITRICE DE TNAP
  申请人：DAIICHI SANKYO CO LTD

  公开号：WO2018119444A1

  公开（公告）日：2018-06-28

  The present invention relates to a compound or a pharmacologically acceptable salt thereof having excellent tissue non-specific alkaline phosphatase inhibitory activity. The present invention provides a compound represented by the formula (I) or a pharmacologically acceptable salt thereof.

  本发明涉及一种具有优异的组织非特异性碱性磷酸酶抑制活性的化合物或其药理学上可接受的盐。本发明提供一种由式(I)表示的化合物或其药理学上可接受的盐。
• [EN] THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS OXY-PHÉNYL-ARYLES THÉRAPEUTIQUES ET LEUR UTILISATION
  申请人：CANCER REC TECH LTD

  公开号：WO2009053694A1

  公开（公告）日：2009-04-30

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain oxy phenyl aryl compounds (referred to herein as OPA compounds), as described herein, which, inter alia, inhibit Checkpoint Kinase 2 (CHK2) kinase function. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit CHK2 kinase function, and in the treatment of diseases and conditions that are mediated by CHK2, that are ameliorated by the inhibition of CHK2 kinase function, etc., including proliferative conditions such as cancer, etc., optionally in combination with another agent, for example, (a) a DNA topoisomerase I or II inhibitor; (b) a DNA damaging agent; (c) an antimetabolite or TS inhibitor; (d) a microtubule targeted agent; and (e) ionising radiation.

  本发明总体涉及治疗化合物领域，更具体地涉及如本文所述的某些氧基苯基芳基化合物（以下简称OPA化合物），其中，抑制检查点激酶2（CHK2）激酶功能。本发明还涉及包含此类化合物的药物组合物，以及使用此类化合物和组合物，在体内外抑制CHK2激酶功能，以及治疗由CHK2介导的疾病和状况，包括通过抑制CHK2激酶功能而改善的疾病和状况，等等，包括诸如癌症等增殖性疾病，可选地与另一剂联合使用，例如，（a）DNA拓扑异构酶I或II抑制剂；（b）DNA损伤剂；（c）抗代谢物或TS抑制剂；（d）针对微管的药剂；（e）电离辐射。
• Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use
  申请人：Collins Ian

  公开号：US20110201592A1

  公开（公告）日：2011-08-18

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain oxy phenyl aryl compounds (referred to herein as OPA compounds), as described herein, which, inter alia, inhibit Checkpoint Kinase 2 (CHK2) kinase function. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit CHK2 kinase function, and in the treatment of diseases and conditions that are mediated by CHK2, that are ameliorated by the inhibition of CHK2 kinase function, etc., including proliferative conditions such as cancer, etc., optionally in combination with another agent, for example, (a) a DNA topoisomerase I or II inhibitor; (b) a DNA damaging agent; (c) an antimetabolite or TS inhibitor; (d) a microtubule targeted agent; and (e) ionising radiation.

  本发明涉及治疗化合物领域，更具体地涉及某些氧苯基芳基化合物（以下简称OPA化合物），如本文所述，该化合物在其中抑制检查点激酶2（CHK2）激酶功能。本发明还涉及包含这种化合物的制药组合物，以及在体外和体内使用这种化合物和组合物来抑制CHK2激酶功能，并治疗由CHK2介导，通过抑制CHK2激酶功能改善的疾病和病况，包括增殖性疾病，如癌症等，可选择与另一种药物一起使用，例如（a）DNA拓扑异构酶I或II抑制剂；（b）DNA损伤剂；（c）抗代谢物或TS抑制剂；（d）微管靶向药物；和（e）电离辐射。
• Novel Oxadiazole Compounds
  申请人：Cusack Kevin P.

  公开号：US20110207704A1

  公开（公告）日：2011-08-25

  Novel oxadiazole compounds, pharmaceutical compositions containing such compounds and the use of those compounds or compositions as agonists or antagonists of the S1P family of G protein-coupled receptors for treating diseases associated with modulation of S1P family receptor activity, in particular by affording a beneficial immunosuppressive effect are disclosed.

  本发明涉及新型噁二唑类化合物、含有该类化合物的制药组合物，以及将这些化合物或组合物作为S1P家族G蛋白偶联受体的激动剂或拮抗剂，用于治疗与S1P家族受体活性调节相关的疾病，特别是通过提供有益的免疫抑制作用。
• Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones
  作者：Christopher R. Shugrue、Aaron L. Featherston、Rachel M. Lackner、Angela Lin、Scott J. Miller

  DOI：10.1021/acs.joc.8b00207

  日期：2018.4.20

  Phosphothreonine (pThr)-embedded peptide catalysts are found to mediate the reductive amination of 3-amidocyclohexanones with divergent selectivity. The choice of peptide sequence can be used to alter the diastereoselectivity to favor either the cis-product or trans-product, which are obtained in up to 93:7 er. NMR studies and DFT calculations are reported and indicate that both pathways rely on secondary interactions between substrate and catalyst to achieve selectivity. Furthermore, catalysts appear to accomplish a parallel kinetic resolution of the substrates. The facility for phosphopeptides to tune reactivity and access multiple products in reductive aminations may translate to the diversification of complex substrates, such as natural products, at numerous reactive sites.