1'-benzylspiro[isobenzofuran-1(3H),4'-piperidine] | 37663-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1'-benzylspiro[isobenzofuran-1(3H),4'-piperidine]
• 英文别名: 1'-benzyl-3H-spiro[isobenzofuran-1,4'-piperidine]；1'-benzyl-1,3-dihydrospiro[isobenzofuran-1,4'-piperidine]；1'-Benzyl-3H-spiro[2-benzofuran-1,4'-piperidine]；1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]
• CAS: 37663-43-7
• 化学式: C₁₉H₂₁NO
• 分子量: 279.382
• InChiKey: NQCPWIBLOQTVAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1'-benzylspiro[isobenzofuran-1(3H),4'-piperidine] 在 镍 氩 、 镍 、 steel 、 钯 、 氢气 、 乙醇 、 正庚烷 作用下， 以 乙醇 为溶剂， 25.0~40.0 ℃ 、66.66 MPa 条件下， 反应 44.0h， 以to give a white solid (65 g, 80%)的产率得到3H-螺[2-苯并呋喃-1,4'-哌啶]
  参考文献：
  名称：

  SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES

  摘要：

  特别是，本发明涉及通式（I）中X、Y和R1至R10所描述的化合物。这些化合物是V1a受体拮抗剂。本发明还涉及制备通式I化合物、含有它们的药物组合物以及它们用于治疗焦虑和抑郁症以及其他疾病的用途。

  公开号：

  US20080171759A1
• 作为产物：
  描述：

  1'-苄基-3H-螺[2-苯并呋喃-1,4'-哌啶]-3-酮 在 diborane(6) 作用下， 以 四氢呋喃 为溶剂， 生成 1'-benzylspiro[isobenzofuran-1(3H),4'-piperidine]
  参考文献：
  名称：

  Spiro piperidines. I. Synthesis of spiro[isobenzofuran-1(3H), 4'-piperidines] and spiro[isobenzofuran-1(3H), 3'-piperidines]

  摘要：

  DOI：

  10.1021/jo00898a010

文献信息

• SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES
  申请人：Bissantz Caterina

  公开号：US20100120751A1

  公开（公告）日：2010-05-13

  The present invention is concerned with spiro-dihydrotetraazabenzoazulenes, i.e. spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes of formula I wherein R 1 , R 2 , R 3 , X, Y, Z, m and n are as described herein. The compounds according to the invention act as V1a receptor modulators and are useful as therapeutics acting peripherally and centrally in the conditions of dysmenorrhea, male or female sexual dysfunction, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, and aggressive behavior.

  本发明涉及螺环二氢四氮杂苯并吖唑烯，即式I的螺-5,6-二氢-4H-2,3,5,10b-四氮杂苯并[ e ]吖唑烯，其中R1、R2、R3、X、Y、Z、m和n如本文所述。根据本发明的化合物作为V1a受体调节剂，并且在痛经、男性或女性性功能障碍、高血压、慢性心力衰竭、抗利尿素分泌异常、肝硬化、肾病综合征、焦虑、抑郁症、强迫性障碍、自闭症谱系障碍、精神分裂症和攻击性行为等病症中作用于外周和中枢方面，具有治疗用途。
• Spiropiperidine glycinamide derivatives
  申请人：Hoffman-La Roche Inc.

  公开号：US07498339B2

  公开（公告）日：2009-03-03

  In particular, the present invention is concerned with compounds of the general formula (I) wherein X, Y and R1 to R10 are as described herein. The compounds are V1a receptor antagonists. The invention also relates to the manufacture of compounds of formula I, pharmaceutical compositions containing them and their use for the treatment of anxiety and depressive disorders and other diseases.

  具体而言，本发明涉及一般式（I）的化合物，其中X、Y和R1至R10如本文所述。这些化合物是V1a受体拮抗剂。本发明还涉及制备式I的化合物、含有它们的药物组合物以及它们用于治疗焦虑和抑郁症及其他疾病的用途。
• Structure–activity studies on the nociceptin/orphanin FQ receptor antagonist 1-benzyl-N-{3-[spiroisobenzofuran-1(3H),4′-piperidin-1-yl]propyl} pyrrolidine-2-carboxamide
  作者：Claudio Trapella、Carmela Fischetti、Michela Pela’、Ilaria Lazzari、Remo Guerrini、Girolamo Calo’、Anna Rizzi、Valeria Camarda、David G. Lambert、John McDonald、Domenico Regoli、Severo Salvadori

  DOI：10.1016/j.bmc.2009.05.068

  日期：2009.7

  Twelve derivatives of the nociceptin/orphanin FQ (N/OFQ) receptor (NOP) antagonist 1-benzyl-N-3-[spiroisobenzofuran-1(3H),4'-piperidin-1-yl]propyl} pyrrolidine-2-carboxamide (Comp 24) were synthesised and tested in binding experiments performed on CHOhNOP cell membranes. Among them, a novel interesting NOP receptor antagonist (compound 35) was identified by blending chemical moieties taken from different NOP receptor ligands. In vitro in various assays, Compound 35 consistently behaved as a pure, highly potent (pA(2) in the range 8.0-9.9), competitive and NOP selective antagonist. However compound 35 was found inactive when challenged against N/OFQ in vivo in the mouse tail withdrawal assay. Thus the usefulness of the novel NOP ligand compound 35 is limited to in vitro investigations. (C) 2009 Elsevier Ltd. All rights reserved.
• PARHAM W. E.; EGBERG D. C.; SAYED Y. A.; THRAIKILL R. W.; KEYSER G. E.; N+, J. ORG. CHEM. <JOCE-AH>, 1976, 41, NO 15, 2628-2633
  作者：PARHAM W. E.、 EGBERG D. C.、 SAYED Y. A.、 THRAIKILL R. W.、 KEYSER G. E.、 N+

  DOI：——

  日期：——
• MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20150376198A1

  公开（公告）日：2015-12-31

  Compounds comprising piperazines, piperidines, spiro-furanopiperidines, and analogs thereof are provided that are modulators, such as positive allosteric modulators, of one or more subclasses of vasopressin receptors. The compounds can be selective modulators of one or more subclasses of vasopressin receptors. Compounds of the invention can be used in the treatment of a condition wherein modulating a vasopressin receptor is medically indicated for treatment of the condition.