2-(3-(3,4-二氯苯基)吡咯烷-3-基)乙醇 | 52423-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 2-(3-(3,4-二氯苯基)吡咯烷-3-基)乙醇
• 英文名称: 3-(3,4-dichloro-phenyl)-3-(2-hydroxy-ethyl)-pyrrolidine
• 英文别名: 3-(2-Hydroxyethyl)-3-(3,4-dichlorophenyl)-pyrrolidine；2-(3-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethanol；›3-(3,4-dichloro-phenyl)-3-(2-hydroxyethyl)-pyrrolidine；3-(3,4-dichloro-phenyl)-3-(2-hydroxyethyl)-pyrrolidine；3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine；2-(3-(3,4-Dichlorophenyl)pyrrolidin-3-yl)ethanol；2-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanol
• CAS: 52423-89-9
• 化学式: C₁₂H₁₅Cl₂NO
• 分子量: 260.163
• InChiKey: SRZABNWAUIZJDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-(3-(3,4-二氯苯基)吡咯烷-3-基)乙醇 生成 Methanesulfonic acid 2-{3-(3,4-dichloro-phenyl)-1-[2-(3,4,5-trimethoxy-phenyl)-acetyl]-pyrrolidin-3-yl}-ethyl ester
  参考文献：
  名称：

  Identification and chemical synthesis of MDL 105,212, a non-peptide tachykinin antagonist with high affinity for NK1 and NK2 receptors

  摘要：

  We have synthesized and identified MDL 105,212, a non-peptide tachykinin receptor antagonist that has high affinity for human NK1 (IC50=3.11 nM) and NK2 (IC50=8.40 nM) receptors. The chemical synthesis of MDL 105,212 and the SAR of a series of racemic amide analogs are described. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00148-5
• 作为产物：
  描述：

  4-(3,4-dichloro-phenyl)-4-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-pyrrolidine 在 盐酸 、 sodium hydroxide 、 sodium chloride 作用下， 以 甲醇 、 异丙醚 、 水 为溶剂， 生成 2-(3-(3,4-二氯苯基)吡咯烷-3-基)乙醇
  参考文献：
  名称：

  1-azoniabicyclo\x9b2.2.1!heptanes, method of preparing them and

  摘要：

  该发明涉及公式为##STR1##的四元碱性酰胺，其中Ar是一个可选择取代的单环、双环或三环芳香或杂芳基团；T是直链键，羟甲亚基，烷氧甲亚基，其中烷氧基是C.sub.1 -C.sub.4，或C.sub.1 -C.sub.5-烷基亚基；Ar'是未取代或单取代或多取代的苯基，噻吩基，苯噻吩基，萘基或吲哚基；R是氢或C.sub.1 -C.sub.4-烷基，或C.sub.1 -C.sub.4-ω-烷氧基(C.sub.2 -C.sub.4)烷基，或C.sub.2 -C.sub.4-ω-烷酰氧基(C.sub.1 -C.sub.4)烷基；Q是氢；或者Q和R一起形成1,2-乙烯，1,3-丙烯或1,4-丁烯基团；Am.sup..sym.是基团##STR2##其中X.sub.1、X.sub.2和X.sub.3与它们连接的氮原子一起形成一个1-AZONIABICYCLO\x9b2.2.1!HEPTANE，该环可选择由苯基或苄基取代；A.sup..crclbar.是一种药用可接受的阴离子。这些化合物可用于制备用于治疗涉及Tachykinin系统的病理条件的药物。

  公开号：

  US05679693A1

文献信息

• Substituted pyrrolidin-3-yl-alkyl-piperidines
  申请人：Merrell Pharmaceuticals Inc.

  公开号：US05635510A1

  公开（公告）日：1997-06-03

  The present invention relates to substituted pyrrolidinyl-3-yl-alkyl-piperidines, their stereoisomers, and pharmaceutically acceptable salts thereof and processes for preparation of the same. The compounds of the present invention are useful in their pharmacological activities such as tachykinin antagonism, especially substance P and neurokinin A antagonism, and the like. Compounds having the property of tachykinin antagonism are indicated for conditions associated with neurogenic inflammation and other diseases described herein.

  本发明涉及取代吡咯啉基-3-基-烷基-哌啶、其立体异构体和药学上可接受的盐以及其制备方法。本发明的化合物在药理活性方面具有用途，如快速激肽拮抗作用，特别是物质P和神经激肽A的拮抗作用等。具有快速激肽拮抗性质的化合物适用于与神经源性炎症和本文所述的其他疾病相关的情况。
• Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases
  申请人：——

  公开号：US20010034343A1

  公开（公告）日：2001-10-25

  The present invention relates to novel 4-(1H-benzimidazol-2-yl)[1,4]diazepane derivatives of formula 1 and stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及一种新颖的4-(1H-苯并咪唑-2-基)[1,4]二氮杂环庚烷衍生物及其立体异构体，以及其药学上可接受的盐，其作为组胺受体拮抗剂和速激肽受体拮抗剂具有用途。这些拮抗剂在过敏性鼻炎的治疗中有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• Substituted piperidines useful for the treatment of allergic diseases
  申请人：Aventis Pharmaceuticals, Inc.

  公开号：US06329392B1

  公开（公告）日：2001-12-11

  The present invention relates to novel substituted piperidine derivatives of the formula stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic diseases including: seasonal rhinitis, allergic rhinitis, and sinusitis.

  本发明涉及一种新型的取代哌啶衍生物，其化学式为其立体异构体和药学上可接受的盐，可用作组胺受体拮抗剂和速激肽受体拮抗剂。这类拮抗剂在治疗过敏性疾病中很有用，包括：季节性鼻炎、过敏性鼻炎和鼻窦炎。
• [EN] PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS<br/>[FR] COMPOSES DE PYRROLIDINE ET D'AZETIDINE SERVANT D'ANTAGONISTES DE CCR5
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004055016A1

  公开（公告）日：2004-07-01

  The present invention relates to compounds of formula (I), or pharmaceutically acceptable derivatives thereof, useful in the treatment of CCR5-related diseases and disorders, for example, useful in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS).

  本发明涉及式(I)的化合物，或其药学上可接受的衍生物，用于治疗与CCR5相关的疾病和疾病，例如，用于抑制HIV复制，预防或治疗HIV感染，并用于治疗由此导致的获得性免疫缺陷综合症（AIDS）。
• 1-azoniabicyclo[2.2.1] heptanes and pharmaceutical compositions in which
  申请人：Sanofi

  公开号：US05554763A1

  公开（公告）日：1996-09-10

  The invention relates to quaternary basic amides of the formula ##STR1## in which Ar is an optionally substituted mono-, di- or tri-cyclic aromatic or heteroaromatic group; T is a direct bond, a hydroxymethylene group, an alkoxymethylene group in which the alkoxy group is C.sub.1 -C.sub.4, or a C.sub.1 -C.sub.5 -alkylene group; Ar' is an unsubstituted or mono- or poly-substituted phenyl, a thienyl, a benzothienyl, a naphthyl or an indolyl; R is hydrogen or a C.sub.1 -C.sub.4 -alkyl, or a .omega.-C.sub.1 -C.sub.4 -alkoxy(C.sub.2 -C.sub.4)alkyl, or a .omega.-C.sub.2 -C.sub.4 -alkanoyloxy (C.sub.1 -C.sub.4)alkyl;. Q is hydrogen; or else Q and R together form a 1,2-ethylene, 1,3-propylene or 1,4-butylene group; Am.sup..sym. is the radical ##STR2## in which X.sub.1, X.sub.2 and X.sub.3, together with the nitrogen atom to which they are bonded, form an azabicyclic or azatricyclic system optionally substituted by a phenyl or benzyl group; and A.sup..crclbar. is a pharmaceutically acceptable anion. These compounds are useful for the preparation of drugs intended for the treatment of pathological conditions involving the tachykinin system.

  该发明涉及以下结构的四元碱性酰胺：其中Ar是可选择取代的单、双或三环芳香族或杂芳族基团；T是直接键、羟甲亚基、烷氧基甲亚基（其中烷氧基是C.sub.1 -C.sub.4）、或C.sub.1 -C.sub.5 烷基亚基；Ar'是未取代或单或多取代的苯基、噻吩基、苯并噻吩基、萘基或吲哚基；R是氢或C.sub.1 -C.sub.4 烷基，或.ω.-C.sub.1 -C.sub.4 烷氧基(C.sub.2 -C.sub.4)烷基，或.ω.-C.sub.2 -C.sub.4 烷酰氧基(C.sub.1 -C.sub.4)烷基；Q是氢；或者Q和R一起形成1,2-乙烯基、1,3-丙烷基或1,4-丁烷基；Am.sup..sym.是基团：其中X.sub.1、X.sub.2和X.sub.3与它们连接的氮原子一起形成一个可能被苯基或苄基取代的氮杂双环或氮杂三环系统；A.sup..crclbar.是一种药用可接受的阴离子。这些化合物可用于制备用于治疗涉及缓激肽系统的病理状况的药物。