2-((2S)-2-methylpyrrolidin-1-yl)ethan-1-ol | 831197-11-6

• 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: 2-((2S)-2-methylpyrrolidin-1-yl)ethan-1-ol
• 英文别名: 2-((S)-2-Methyl-pyrrolidin-1-yl)-ethanol；2-[(2S)-2-Methylpyrrolidin-1-yl]ethan-1-ol；2-[(2S)-2-methylpyrrolidin-1-yl]ethanol
• CAS: 831197-11-6
• 化学式: C₇H₁₅NO
• 分子量: 129.202
• InChiKey: CTINRKGSNIHQMR-ZETCQYMHSA-N

物化性质

• 沸点：
  197.8±13.0 °C(Predicted)
• 密度：
  0.958±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-((2S)-2-methylpyrrolidin-1-yl)ethan-1-ol 在 钯 偶氮二甲酸二异丙酯 、 四丁基氟化铵 、 甲酸铵 、 溶剂黄146 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 水 、 乙酸乙酯 为溶剂， 生成 (2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[2-((S)-2-methyl-pyrrolidin-1-yl)-ethoxy]-phenyl}-2,3-dihydro-benzo[1,4]oxathiin-6-ol
  参考文献：
  名称：

  Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers

  摘要：

  A series of dihydrobenzoxathiin SERAMs with alkylated pyrrolidine side chains or alkylated linkers was prepared. Minor modifications in the side chain or linker resulted in significant effects on biological activity, especially in uterine tissue.

  DOI：

  10.1016/j.bmcl.2004.10.036
• 作为产物：
  描述：

  2-甲基吡咯烷 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 2-((2S)-2-methylpyrrolidin-1-yl)ethan-1-ol
  参考文献：
  名称：

  Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers

  摘要：

  A series of dihydrobenzoxathiin SERAMs with alkylated pyrrolidine side chains or alkylated linkers was prepared. Minor modifications in the side chain or linker resulted in significant effects on biological activity, especially in uterine tissue.

  DOI：

  10.1016/j.bmcl.2004.10.036

文献信息

• ACYLAMINOPIPERIDINE COMPOUND
  申请人：Kontani Toru

  公开号：US20090131666A1

  公开（公告）日：2009-05-21

  [Problem] To provide a compound which has an excellent activity to modulate the functions of CCR4 or TARC and/or MDC and can be used for the prevention and/or treatment of various inflammatory diseases, allergic diseases, autoimmune diseases and the like. [Means for Resolution] An acylaminopiperidine compound represented by the formula (I) or a pharmaceutically acceptable salt thereof. [Symbols in the formula represent the following meanings; A: a single bond or C 1 -C 6 alkylene, R 1 : phenyl which may be substituted, etc., R 2 : —H or C 1 -C 6 alkyl, R 3 : —H, C 1 -C 6 alkyl or C 3 -C 8 cycloalkyl, R 4 : pyrrolidin-2-yl which may be substituted, etc., and D: benzene ring or pyrazole ring].

  [问题] 提供一种化合物，该化合物具有优异的调节CCR4或TARC和/或MDC功能的活性，并可用于预防和/或治疗各种炎症性疾病、过敏性疾病、自身免疫性疾病等。 [解决方法] 一种由式(I)表示的酰胺哌啶化合物或其药学上可接受的盐。 [式中符号的含义如下：A：单键或C1-C6烷基，R1：可能被取代的苯基等，R2：-H或C1-C6烷基，R3：-H，C1-C6烷基或C3-C8环烷基，R4：可能被取代的吡咯烷-2-基等，D：苯环或吡唑环]。
• US7790884B2
  申请人：——

  公开号：US7790884B2

  公开（公告）日：2010-09-07
• [EN] ESTROGEN RECEPTOR ALPHA ANTAGONISTS AND USES THEREOF<br/>[FR] ANTAGONISTES DU RÉCEPTEUR ALPHA DES ŒSTROGÈNES ET LEURS UTILISATIONS
  申请人：[en]THE UNIVERSITY OF CHICAGO

  公开号：WO2022178139A1

  公开（公告）日：2022-08-25

  Provided is a compound of formula (I) or a pharmaceutically acceptable salt thereof, in which R1, R2, R3, R4, R5, X1, X2, and n are described herein. Also provided is a method of treating an estrogen-mediated disease requiring inhibition of estrogen receptor alpha (ER-alpha), such as cancer, in a subject or inhibiting ER-alpha in a cell with the compound of formula (I) or a pharmaceutically acceptable salt thereof.
• WO2023/47107
  申请人：——

  公开号：——

  公开（公告）日：——
• Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers
  作者：Timothy A. Blizzard、Frank DiNinno、Jerry D. Morgan、Helen Y. Chen、Jane Y. Wu、Seongkon Kim、Wanda Chan、Elizabeth T. Birzin、Yi Tien Yang、Lee-Yuh Pai、Paula M.D. Fitzgerald、Nandini Sharma、Ying Li、Zhoupeng Zhang、Edward C. Hayes、Carolyn A. DaSilva、Wei Tang、Susan P. Rohrer、James M. Schaeffer、Milton L. Hammond

  DOI：10.1016/j.bmcl.2004.10.036

  日期：2005.1

  A series of dihydrobenzoxathiin SERAMs with alkylated pyrrolidine side chains or alkylated linkers was prepared. Minor modifications in the side chain or linker resulted in significant effects on biological activity, especially in uterine tissue.