difluorocyclopropanol | 811431-40-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: difluorocyclopropanol
• 英文别名: 2,2-Difluorocyclopropanol；2,2-difluorocyclopropan-1-ol
• CAS: 811431-40-0
• 化学式: C₃H₄F₂O
• 分子量: 94.061
• InChiKey: BCNZWRRCPMSBMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  difluorocyclopropanol 、 1-(6-氨基-9H-嘌呤-9-基)-1,5-二脱氧-2,3-O-(1-甲基亚乙基)-BETA-D-呋喃核己糖醛酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以69%的产率得到[(3aR,4R,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-acetic acid 2,2-difluoro-cyclopropyl ester
  参考文献：
  名称：

  Inactivation of S-adenosylhomocysteine hydrolase with haloethyl and dihalocyclopropyl esters derived from homoadenosine-6′-carboxylic acid

  摘要：

  In a search for new inhibitors that exploit 5'-6' `hydrolytic activity' of AdoHcy hydrolase, a new series of haloethyl and dihalocyclopropyl esters 2-3 were designed and their interaction with the enzyme studied. Incubation of the enzyme with 2-3 resulted in time- and concentration-dependent inactivation of AdoHcy hydrolase as well as almost total depletion of its NAD+ content. Further results indicated that the `oxidative' but not the `hydrolytic' activity was involved in the inactivation process. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.050
• 作为产物：
  描述：

  (2,2-Difluoro-cyclopropoxymethyl)-benzene 在 palladium dihydroxide 氢气 作用下， 以100%的产率得到difluorocyclopropanol
  参考文献：
  名称：

  Inactivation of S-adenosylhomocysteine hydrolase with haloethyl and dihalocyclopropyl esters derived from homoadenosine-6′-carboxylic acid

  摘要：

  In a search for new inhibitors that exploit 5'-6' `hydrolytic activity' of AdoHcy hydrolase, a new series of haloethyl and dihalocyclopropyl esters 2-3 were designed and their interaction with the enzyme studied. Incubation of the enzyme with 2-3 resulted in time- and concentration-dependent inactivation of AdoHcy hydrolase as well as almost total depletion of its NAD+ content. Further results indicated that the `oxidative' but not the `hydrolytic' activity was involved in the inactivation process. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.050

文献信息

• 一种可抑制PRMT5·MTA的杂环化合物及其用途
  申请人：西藏海思科制药有限公司

  公开号：CN118239929A

  公开（公告）日：2024-06-25

  本发明公开一种式(I)的化合物，其立体异构体、氘代物、溶剂化物、前药、代谢产物、药学上可接受的盐或共晶，或含它们的药物组合物，及其作为PRMT5·MTA抑制剂在制备治疗相关疾病的药物中的用途，式(I)中各基团如说明书之定义。#imgabs0#