3-(1-BOC-2(S)-azetidinylmethoxy)-6-chloropyridazine | 228857-50-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 英文名称: 3-(1-BOC-2(S)-azetidinylmethoxy)-6-chloropyridazine
• 英文别名: tert-butyl (2S)-2-[(6-chloropyridazin-3-yl)oxymethyl]azetidine-1-carboxylate
• CAS: 228857-50-9
• 化学式: C₁₃H₁₈ClN₃O₃
• 分子量: 299.757
• InChiKey: XKHJLGIMWFDYJP-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(1-BOC-2(S)-azetidinylmethoxy)-6-chloropyridazine 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-(2-(S)-azetidinylmethoxy)-6-chloropyridazine
  参考文献：
  名称：

  Structure-activity studies on a novel series of cholinergic channel activators based on a heteroaryl ether framework

  摘要：

  Analogs of compound 1 with a variety of azacycles and heteroaryl groups were synthesized. These analogs exhibited K-i values ranging from 0.15 to 1 10,000 nM when tested in vitro for cholinergic channel receptor binding activity (displacement of [H-3](-) cytisine from whole rat brain synaptic membranes). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00462-x
• 作为产物：
  描述：

  3-溴-6-氯哒嗪 、 (S)-1-BOC-2-氮杂环丁烷甲醇 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(1-BOC-2(S)-azetidinylmethoxy)-6-chloropyridazine
  参考文献：
  名称：

  Structure-activity studies on a novel series of cholinergic channel activators based on a heteroaryl ether framework

  摘要：

  Analogs of compound 1 with a variety of azacycles and heteroaryl groups were synthesized. These analogs exhibited K-i values ranging from 0.15 to 1 10,000 nM when tested in vitro for cholinergic channel receptor binding activity (displacement of [H-3](-) cytisine from whole rat brain synaptic membranes). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00462-x

文献信息

• Heterocyclic ether compounds useful in controlling neurotransmitter
  申请人：Abbott Laboratories

  公开号：US05914328A1

  公开（公告）日：1999-06-22

  Novel heterocyclic ether compounds of the formula: ##STR1## wherein *, A,B, n, R.sup.1, R.sup.2 and X are specifically defined, or pharmaceutically-acceptable salts or prodrugs thereof, which are useful in selectively activating or inhibiting neurotransmitter release; to therapeutically-effective pharmaceutical compositions of these compounds; and to the use of said compositions to activate or inhibit neurotransmitter release in mammals.

  该专利涉及一种新型杂环醚化合物，其化学式为：##STR1## 其中，*，A，B，n，R.sup.1，R.sup.2和X都有特定的定义，或其药学上可接受的盐或前药，可用于选择性激活或抑制神经递质的释放。同时，该专利还涉及这些化合物的治疗有效的药物组合物，以及使用上述组合物在哺乳动物中激活或抑制神经递质的释放。
• 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling
  申请人：Abbott Laboratories

  公开号：US05948793A1

  公开（公告）日：1999-09-07

  Novel heterocyclic ether compounds of the formula: ##STR1## wherein n, *, R.sup.1, R.sup.2, R.sup.3 and y are specifically defined, or pharmaceutically acceptable salts or prodrugs thereof, which are useful in selectively controlling neurotransmitter release; therapeutically-effective pharmaceutical compositions of these compounds; and use of said compositions to selectively control neurotransmitter release in mammals.

  该专利涉及一种新型杂环醚化合物，其化学式为：##STR1## 其中n，*，R.sup.1，R.sup.2，R.sup.3和y都有具体定义，或其药学上可接受的盐或前药。这些化合物可用于选择性控制神经递质释放，并制备了具有治疗效果的药物组合物。该专利还涉及将上述组合物用于选择性控制哺乳动物神经递质释放的方法。
• US5914328A
  申请人：——

  公开号：US5914328A

  公开（公告）日：1999-06-22
• US5948793A
  申请人：——

  公开号：US5948793A

  公开（公告）日：1999-09-07
• Structure-activity studies on a novel series of cholinergic channel activators based on a heteroaryl ether framework
  作者：Nan-Horng Lin、Melwyn A. Abreo、David E. Gunn、Suzanne A. Lebold、Edmund L. Lee、James T. Wasicak、Ann-Marie Hettinger、Jerome F. Daanen、David S. Garvey、Jeffrey E. Campbell、James P. Sullivan、Michael Williams、Stephen P. Arneric

  DOI：10.1016/s0960-894x(99)00462-x

  日期：1999.9

  Analogs of compound 1 with a variety of azacycles and heteroaryl groups were synthesized. These analogs exhibited K-i values ranging from 0.15 to 1 10,000 nM when tested in vitro for cholinergic channel receptor binding activity (displacement of [H-3](-) cytisine from whole rat brain synaptic membranes). (C) 1999 Elsevier Science Ltd. All rights reserved.