2-(3,4-difluorophenyl)-N-ethyl-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-2-(2-oxopiperazin-1-yl)acetamide | 1165772-05-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(3,4-difluorophenyl)-N-ethyl-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-2-(2-oxopiperazin-1-yl)acetamide
• CAS: 1165772-05-3
• 化学式: C₂₉H₃₅F₃N₄O₃
• 分子量: 544.617
• InChiKey: JGOSZIHAFPICES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  65.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(3,4-difluorophenyl)-N-ethyl-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-2-(2-oxopiperazin-1-yl)acetamide 、 甲基磺酰氯 在 碳酸氢钠 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以99%的产率得到2-(3,4-difluorophenyl)-N-ethyl-2-(4-(methanesulfonyl)-2-oxo-1-piperazinyl)-N-[3-(spiro [6-fluoroisobenzofuran-1(3H)-4'-piperidin]-1-yl)-propyl]acetamide
  参考文献：
  名称：

  Identification and characterization of a selective radioligand for melanin-concentrating hormone 1-receptor (MCH1R)

  摘要：

  We have developed and characterized [S-35]4a as a potent and selective radioligand for melanin-concentrating hormone 1-receptor (MCH1R). Compound [S-35]4a showed appreciable specific signals in brain slices prepared from wild-type mice but not from MCH1R deficient mice, confirming the specificity and utility of [S-35]4a as a selective MCH1R radioligand for ex vivo receptor occupancy assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.102
• 作为产物：
  描述：

  tert-butyl 4-[1-(3,4-difluorophenyl)-2-[ethyl-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]amino]-2-oxoethyl]-3-oxopiperazine-1-carboxylate 在 三氟乙酸 作用下， 反应 0.17h， 以85%的产率得到2-(3,4-difluorophenyl)-N-ethyl-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-2-(2-oxopiperazin-1-yl)acetamide
  参考文献：
  名称：

  Identification and characterization of a selective radioligand for melanin-concentrating hormone 1-receptor (MCH1R)

  摘要：

  We have developed and characterized [S-35]4a as a potent and selective radioligand for melanin-concentrating hormone 1-receptor (MCH1R). Compound [S-35]4a showed appreciable specific signals in brain slices prepared from wild-type mice but not from MCH1R deficient mice, confirming the specificity and utility of [S-35]4a as a selective MCH1R radioligand for ex vivo receptor occupancy assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.102

文献信息

• Identification and characterization of a selective radioligand for melanin-concentrating hormone 1-receptor (MCH1R)
  作者：Masahiko Ito、Toshihiro Sakamoto、Takao Suzuki、Shinichiro Egashira、Minoru Moriya、Akane Ishihara、Hisashi Iwaasa、Hiroko Matsushita、Kazuho Nakase、Michael A. Wallace、Dennis Dean、Nagaaki Sato、Shigeru Tokita、Akio Kanatani

  DOI：10.1016/j.bmcl.2009.03.102

  日期：2009.5

  We have developed and characterized [S-35]4a as a potent and selective radioligand for melanin-concentrating hormone 1-receptor (MCH1R). Compound [S-35]4a showed appreciable specific signals in brain slices prepared from wild-type mice but not from MCH1R deficient mice, confirming the specificity and utility of [S-35]4a as a selective MCH1R radioligand for ex vivo receptor occupancy assays. (C) 2009 Elsevier Ltd. All rights reserved.