2-fluoro-10-(2-propenyl)-dibenz[b,f]tiepin-11(10H)-one | 796045-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 2-fluoro-10-(2-propenyl)-dibenz[b,f]tiepin-11(10H)-one
• 英文别名: 3-fluoro-6-prop-2-enyl-6H-benzo[b][1]benzothiepin-5-one
• CAS: 796045-27-7
• 化学式: C₁₇H₁₃FOS
• 分子量: 284.354
• InChiKey: ROIIWNWIWUOMHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-fluoro-10-(2-propenyl)-dibenz[b,f]tiepin-11(10H)-one 在 L-Selectride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以97%的产率得到cis-10,11-dihydro-2-fluoro-10-(2-propenyl)-dibenz[b,f]tiepin-11-ol
  参考文献：
  名称：

  发现新的四环四氢呋喃衍生物作为潜在的广谱精神药物。

  摘要：

  制备了一系列新颖的四环四氢呋喃衍生物，并对其潜在的精神性质进行了评估。据报道多种多巴胺能，血清素能，α-肾上腺素和组胺受体和去甲肾上腺素转运蛋白的体外亲和力以及在一些体内测定中获得的抗精神病药，抗焦虑药和抗抑郁药的ED（50）值。化合物（-）-1，（-）-8d和（+）-8d已被确定为潜在的广谱精神药物。

  DOI：

  10.1021/jm049632c
• 作为产物：
  描述：

  8-fluoro-dibenzo[b,f]thiepin-10(11H)-one 、 3-溴丙烯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以90%的产率得到2-fluoro-10-(2-propenyl)-dibenz[b,f]tiepin-11(10H)-one
  参考文献：
  名称：

  发现新的四环四氢呋喃衍生物作为潜在的广谱精神药物。

  摘要：

  制备了一系列新颖的四环四氢呋喃衍生物，并对其潜在的精神性质进行了评估。据报道多种多巴胺能，血清素能，α-肾上腺素和组胺受体和去甲肾上腺素转运蛋白的体外亲和力以及在一些体内测定中获得的抗精神病药，抗焦虑药和抗抑郁药的ED（50）值。化合物（-）-1，（-）-8d和（+）-8d已被确定为潜在的广谱精神药物。

  DOI：

  10.1021/jm049632c

文献信息

• [EN] NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE TÉTRAHYDROFURANE TÉTRACYCLIQUES INSATURÉS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006000555A3

  公开（公告）日：2006-08-17
• Novel tetracyclic tetrahydrofuran derivatives
  申请人：Cid-Nunez Maria Jose

  公开号：US20070191469A1

  公开（公告）日：2007-08-16

  This invention concerns novel substituted unsaturated tetracyclic tetrahydrofuran derivatives with binding affinities towards serotonine receptors, in particular 5-HT 2A and 5-HT 2C receptors, and towards dopamine receptors, in particular dopamine D2 receptors and with norepinephrine reuptake inhibition properties, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substitutents are defined as in Claim 1.
• NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES
  申请人：Núñez José Maria

  公开号：US20120035170A1

  公开（公告）日：2012-02-09

  This invention concerns novel substituted unsaturated tetracyclic tetrahydrofuran derivatives with binding affinities towards serotonine receptors, in particular 5-HT 2A and 5-HT 2C receptors, and towards dopamine receptors, in particular dopamine D2 receptors and with norepinephrine reuptake inhibition properties, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substituents are defined as in claim 1.
• US8022102B2
  申请人：——

  公开号：US8022102B2

  公开（公告）日：2011-09-20
• Discovery of New Tetracyclic Tetrahydrofuran Derivatives as Potential Broad-Spectrum Psychotropic Agents
  作者：Javier Fernández、José M. Alonso、José I. Andrés、José M. Cid、Adolfo Díaz、Laura Iturrino、Pilar Gil、Anton Megens、Victor K. Sipido、Andrés A. Trabanco

  DOI：10.1021/jm049632c

  日期：2005.3.1

  A series of novel tetracyclic tetrahydrofuran derivatives was prepared and evaluated for its potential psychotropic properties. In vitro affinities for multiple dopaminergic, serotonergic, alpha-adrenergic, and histamine receptors and for the norepinephrine transporter as well as the ED(50) values obtained in some in vivo assays for antipsychotic, anxiolytic, and antidepressant potential are reported

  制备了一系列新颖的四环四氢呋喃衍生物，并对其潜在的精神性质进行了评估。据报道多种多巴胺能，血清素能，α-肾上腺素和组胺受体和去甲肾上腺素转运蛋白的体外亲和力以及在一些体内测定中获得的抗精神病药，抗焦虑药和抗抑郁药的ED（50）值。化合物（-）-1，（-）-8d和（+）-8d已被确定为潜在的广谱精神药物。