5-ethynyl-2,2-dimethyl-[1,3]dioxan-(N-tert-butyloxycarbonyl)-5-ylamine | 364631-74-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-ethynyl-2,2-dimethyl-[1,3]dioxan-(N-tert-butyloxycarbonyl)-5-ylamine
• 英文别名: tert-butyl (5-ethynyl-2,2-dimethyl-1,3-dioxan-5-yl)carbamate；tert-butyl 5-ethynyl-2,2-dimethyl-1,3-dioxan-5-ylcarbamate；t-butyl (5-ethynyl-2,2-dimethyl-1,3-dioxan-5-yl)carbamate；(2,2-dimethyl-5-ethynyl-1,3-dioxan-5-yl)carbamic acid t-butyl ester；(5-ethynyl-2,2-dimethyl-1,3-dioxan-5-yl)carbamic acid t-butyl ester；Tert-butyl N-(5-ethynyl-2,2-dimethyl-1,3-dioxan-5-yl)carbamate
• CAS: 364631-74-3
• 化学式: C₁₃H₂₁NO₄
• 分子量: 255.314
• InChiKey: SZXXZSZVMCBALZ-UHFFFAOYSA-N

物化性质

• 沸点：
  331.7±42.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-ethynyl-2,2-dimethyl-[1,3]dioxan-(N-tert-butyloxycarbonyl)-5-ylamine 在 copper(l) iodide 、 palladium 10% on activated carbon 、 盐酸羟胺 、 氢气 、 silver fluoride 、 正丁胺 、 N,N-二异丙基乙胺 、 三氟乙酸 、 copper(l) chloride 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.0h， 生成 2-amino-2-(2-(1-decyl-1H-1,2,3-triazol-4-yl)ethyl)propane-1,3-diol
  参考文献：
  名称：

  WO2023/43024

  摘要：

  公开号：
• 作为产物：
  描述：

  (5-甲酰基-2,2-二甲基-1,3-二氧六环-5-基)氨基甲酸叔丁酯 在 甲基锂 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 反应 19.75h， 生成 5-ethynyl-2,2-dimethyl-[1,3]dioxan-(N-tert-butyloxycarbonyl)-5-ylamine
  参考文献：
  名称：

  New design concepts for constraining glycosylated amino acids

  摘要：

  In an effort to probe the mechanism by which glycosyltransferases recognize glycoproteins and assemble the core structures of O-linked oligosaccharides, two constrained glycopeptides based on the alpha -N-acetylgalactosaminyl serine substructure were chosen for synthesis. These compounds representing one of the two possible gauche conformations of the D-serine and L-serine configurations of the parent substructure were successfully prepared in reasonable overall yield through a convergent strategy. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00545-2

文献信息

• [EN] S1P RECEPTORS MODULATORS AND THEIR USE THEREOF<br/>[FR] MODULATEURS DES RÉCEPTEURS S1P ET LEUR UTILISATION
  申请人：AKAAL PHARMA PTY LTD

  公开号：WO2010043000A1

  公开（公告）日：2010-04-22

  The invention relates to novel compounds that have S1P receptor modulating activity. Further, the invention relates to a pharmaceutical comprising at least one compound of the invention for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression, for example, autoimmune response. A further aspect of the invention relates to the use of a pharmaceutical comprising at least one compound of the invention for the manufacture of a medicament for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression such as autoimmune response.

  这项发明涉及具有S1P受体调节活性的新化合物。此外，该发明涉及包括本发明中至少一种化合物的药物，用于治疗由不当的S1P受体调节活性或表达引起或相关的疾病和/或病况，例如自身免疫反应。该发明的另一个方面涉及使用包括本发明中至少一种化合物的药物制造药物，用于治疗由不当的S1P受体调节活性或表达引起或相关的疾病和/或病况，如自身免疫反应。
• [EN] S1P RECEPTORS MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS S1P
  申请人：AKAAL PHARMA PTY LTD

  公开号：WO2010042998A1

  公开（公告）日：2010-04-22

  The invention relates to novel compounds that have S1P receptor modulating activity and, preferably, apoptotic activity and/or anti proliferative activity against cancer cells and other cell types. Further, the invention relates to a pharmaceutical comprising at least one compound of the invention for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression, for example, cancer. A further aspect of the invention relates to the use of a pharmaceutical comprising at least one compound of the invention for the manufacture of a medicament for the treatment of diseases and/or conditions caused by or associated with inappropriate S1P receptor modulating activity or expression such as cancer.

  该发明涉及具有S1P受体调节活性的新化合物，最好具有对癌细胞和其他细胞类型具有凋亡活性和/或抗增殖活性。此外，该发明涉及包含该发明中至少一种化合物的药物，用于治疗由不当的S1P受体调节活性或表达引起或相关的疾病和/或病况，例如癌症。该发明的另一个方面涉及使用包含该发明中至少一种化合物的药物制备药物，用于治疗由不当的S1P受体调节活性或表达引起或相关的疾病和/或病况，如癌症。
• Asymmetric formation of tert-alkylamines from serinols by a dual function catalyst
  作者：Young Suk You、Tae Woo Kim、Sung Ho Kang

  DOI：10.1039/c3cc45099f

  日期：——

  Consecutive intramolecular desymmetrization and kinetic resolution of 2-substituted N-phenoxycarbonylserinols have been achieved in one-pot by a single chiral catalyst, bisox(7)–CuCl2, to form oxazolidinones with remarkable enantioselectivities (94–99% ee) as tert-alkylamine building blocks. The process culminates in a dual-function of the chiral catalyst.

  在一锅法中，通过单一手性催化剂bisox(7)-CuCl2，实现了2-取代的N-苯氧羰基丝氨酸醇的分子内连续非对称化和动力学拆分，生成具有出色对映选择性（94-99% ee）的噁唑啉酮，作为叔烷基胺构建块。该过程最终实现了手性催化剂的双重功能。
• [EN] IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION<br/>[FR] DÉRIVÉS D'IMIDAZO[1,2A]PYRIDINE, LEUR EMPLOI EN TANT QU'AGONISTES DE S1P1 ET LEURS MÉTHODES DE PRODUCTION
  申请人：EXELIXIS INC

  公开号：WO2010065760A1

  公开（公告）日：2010-06-10

  The invention is directed to Compounds of Formula (I) as well as methods of making and using the compounds.

  该发明涉及式(I)的化合物，以及制备和使用这些化合物的方法。
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：AKAAL PHARMA PTY LTD

  公开号：WO2014063199A1

  公开（公告）日：2014-05-01

  Novel benzofuran derivatives are disclosed. The derivatives have S1P1 receptor activity and/or disease modifying activity and find use in the treatment of conditions or diseases associated with the immune, vascular and nervous systems in animals and/or humans

  揭示了新型苯并呋喃衍生物。这些衍生物具有S1P1受体活性和/或疾病修饰活性，并可用于治疗与动物和/或人类的免疫、血管和神经系统相关的疾病或症状。