(1S,2S,5S)-ethyl-((2-hydroxypinan-3-ylene)amino) acetate | 113890-30-5

• 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
• 英文名称: (1S,2S,5S)-ethyl-((2-hydroxypinan-3-ylene)amino) acetate
• 英文别名: 2-((E)-((1S,2S,5S)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ylidene)amino) acetate
• CAS: 113890-30-5
• 化学式: C₁₄H₂₃NO₃
• 分子量: 253.342
• InChiKey: XVHYGWSRXODAMH-XFNDZMOJSA-N

物化性质

• 沸点：
  329.7±27.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.81
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  58.89
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  甲基乙烯基亚膦酸甲酯 、 (1S,2S,5S)-ethyl-((2-hydroxypinan-3-ylene)amino) acetate 生成 氯-二甲氧基膦
  参考文献：
  名称：

  通过甘氨酸席夫碱迈克尔加成与乙烯基化合物不对称合成 (+)-膦丝菌素及相关化合物

  摘要：

  (S)-(+)-膦丝菌素通过将衍生自 (S)-2-hydroxy-3-pinanone 的手性甘氨酸 Schiff 碱迈克尔加成到乙烯基磷化合物以良好的光学产率制备。(R)-(-)-膦丝菌素，一种对映异构体，也可以通过选择合适的反应温度从相同的手性甘氨酸席夫碱制备。

  DOI：

  10.1246/bcsj.60.1761
• 作为产物：
  描述：

  (+)-α-蒎烯 在 potassium osmate(VI) dihydrate 、 氨 、 N-甲基吗啉氧化物 作用下， 以 吡啶 、 水 、 丙酮 、 甲苯 为溶剂， 反应 66.0h， 生成 (1S,2S,5S)-ethyl-((2-hydroxypinan-3-ylene)amino) acetate
  参考文献：
  名称：

  US2014/275590

  摘要：

  公开号：

文献信息

• COMPOUNDS, CONJUGATES AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES
  申请人：The Board of Trustees of the University of Illinois

  公开号：US20140187500A1

  公开（公告）日：2014-07-03

  The present application provides, among other things, compounds, compositions and methods for treating various diseases including cancer.

  本申请提供了用于治疗多种疾病，包括癌症的化合物、组合物和方法，除此之外还有其他内容。
• METHODS FOR THE SYNTHESIS OF SPHINGOMYELINS AND DIHYDROSPHINGOMYELINS
  申请人：CERENIS THERAPEUTICS HOLDING SA

  公开号：US20140316154A1

  公开（公告）日：2014-10-23

  The present invention includes methods for the synthesis of sphingomyelins and dihydrosphingomyelins. The present invention also includes methods for the synthesis of sphingosines and dihydrosphingosines. The present invention further includes methods for the synthesis of ceramides and dihydroceramides.

  本发明涉及合成鞘磷脂和二氢鞘磷脂的方法。本发明还涉及合成鞘氨醇和二氢鞘氨醇的方法。本发明还涉及合成鞘醇和二氢鞘醇的方法。
• Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment
  申请人：Massachusetts Institute of Technology

  公开号：US10220099B2

  公开（公告）日：2019-03-05

  The synthesis of various pyrazino[1′,2′:1,5]pyrrolo[2,3-b]-indole-1,4-dione analogs has been successfully implemented in the present application. From these efforts, compounds having the structure of Formula I-c: or a pharmaceutically acceptable salt, tautomer, or stereoisomer thereof, wherein R1, R2, R4-R8, R3′, R6′, and n are as defined herein, are provided. These biologically active derivatives have been further used to prepare cell-specific drug conjugates effective in treating various diseases including cancer.

  本申请成功合成了各种吡嗪并[1′,2′:1,5]吡咯并[2,3-b]-吲哚-1,4-二酮类似物。通过这些努力，制备出了具有式 I-c 结构的化合物： 或其药学上可接受的盐、同系物或立体异构体，其中 R1、R2、R4-R8、R3′、R6′ 和 n 如本文所定义。这些具有生物活性的衍生物已被进一步用于制备细胞特异性药物共轭物，可有效治疗包括癌症在内的各种疾病。
• Substituted pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment
  申请人：Massachusetts Institute of Technology

  公开号：US10918735B2

  公开（公告）日：2021-02-16

  The synthesis of various pyrazino[1′,2′:1,5]pyrrolo[2,3-B]-indole-1,4-dione analogs has been successfully implemented in the present application. From these efforts, compounds having the structure of Formula I-a or Formula I-b: or a pharmaceutically acceptable salt, tautomer, or stereoisomer thereof, are provided herein. These biologically active derivatives have been used to effectively treat various diseases including cancer.

  本申请成功合成了各种吡嗪并[1′,2′:1,5]吡咯并[2,3-B]-吲哚-1,4-二酮类似物。通过这些努力，制备出了具有式 I-a 或式 I-b 结构的化合物： 或其药学上可接受的盐、同系物或立体异构体的化合物。这些生物活性衍生物已被用于有效治疗包括癌症在内的各种疾病。
• Synthesis of (+)-(R)-methyl 2-aminotetraline-2-carboxylate: the hydroxypinanone method versus the bislactim method
  作者：Arlette Solladié-Cavallo、Luisa M. Martin-Cabrejas、Giorgio Caravatti、Marc Lang

  DOI：10.1016/s0957-4166(01)00158-6

  日期：2001.5

  The methyl ester of 2-aminotetraline-2-carboxylic acid (Atc-OMe), an important residue for modified peptides, could only be synthesized From the Schollkopf bislactim method. the hydroxypinanone method leading, during the second step, to elimination instead of alkyation toward the expected spiro product. The (+)-(R)-Atc-OMe was thus obtained in three steps and 55% overall yield From the (-)-(R)-bislactim derived from D-valine. (C) 2001 Elsevier Science Ltd. All rights reserved.