tert-butyl (2S)-2-(1-hydroxypropyl)pyrrolidine-1-carboxylate | 1301241-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: tert-butyl (2S)-2-(1-hydroxypropyl)pyrrolidine-1-carboxylate
• CAS: 1301241-51-9
• 化学式: C₁₂H₂₃NO₃
• 分子量: 229.32
• InChiKey: XSXPDTDOTYDGDD-RGURZIINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  49.77
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (2S)-2-(1-hydroxypropyl)pyrrolidine-1-carboxylate 在 N-羟基-7-氮杂苯并三氮唑 、 碳酸氢钠 、 戴斯-马丁氧化剂 、 二乙胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 30.34h， 生成 bisebromoamide
  参考文献：
  名称：

  Total synthesis and cytotoxicity of bisebromoamide and its analogues

  摘要：

  A highly convergent route for assembling bisebromoamide, its stereoisomers and a simplified analogue has been accomplished, which features connecting its left part and right part via thiazoline ring formation at the final stage. Preliminary biological studies revealed that compounds with both proposed and revised structures, and a simplified analogue have similar potency against the proliferation of HeLa S-3 cell, indicating that the stereochemistry of methylthiazoline part, and methyl group at the 4-methylproline residue in bisebromoamide, have limited influence on its cytotoxicity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.058
• 作为产物：
  描述：

  tert-butyl (S)-2-propionyl-1-pyrrolidinecarboxylate 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以100%的产率得到tert-butyl (2S)-2-(1-hydroxypropyl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  Total synthesis and cytotoxicity of bisebromoamide and its analogues

  摘要：

  A highly convergent route for assembling bisebromoamide, its stereoisomers and a simplified analogue has been accomplished, which features connecting its left part and right part via thiazoline ring formation at the final stage. Preliminary biological studies revealed that compounds with both proposed and revised structures, and a simplified analogue have similar potency against the proliferation of HeLa S-3 cell, indicating that the stereochemistry of methylthiazoline part, and methyl group at the 4-methylproline residue in bisebromoamide, have limited influence on its cytotoxicity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.058

文献信息

• [EN] 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE 3-(5-MÉTHOXY-1-OXOISOINDOLIN-2-YL)PIPÉRIDINE-2,6-DIONE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2021124172A1

  公开（公告）日：2021-06-24

  The present disclosure relates to compounds of formula (I') and pharmaceutical compositions and their use in reducing Widely Interspaced Zinc Finger Motifs (WIZ) expression levels, or inducing fetal hemoglobin (HbF) expression, and in the treatment of inherited blood disorders (e.g., hemoglobinopathies, e.g., beta-hemoglobinopathies), such as sickle cell disease and beta-thalassemia.

  本公开涉及式(I')的化合物、药物组合物及其在降低广泛间隔锌指蛋白结构域（WIZ）表达水平、诱导胎儿血红蛋白（HbF）表达以及治疗遗传性血液疾病（例如，血红蛋白病，例如，β-血红蛋白病）方面的用途，如镰状细胞病和β-地中海贫血。