4-苯甲基哌啶盐酸盐 | 26344-73-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-苯甲基哌啶盐酸盐
• 英文名称: 4-(diphenylmethyl)piperidine hydrochloride
• 英文别名: 4-Benzhydrylpiperidine hydrochloride；4-Benzhydryl-piperidin; Hydrochlorid；Diphenyl-4-piperidylmethane hydrochloride；4-benzhydryl-piperidine hydrochloride salt；4-benzhydrylpiperidine;hydrochloride
• CAS: 26344-73-0
• 化学式: C₁₈H₂₁N*ClH
• 分子量: 287.832
• InChiKey: FBFJHRCUWSESSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-氟-5-硝基苯腈 、 4-苯甲基哌啶盐酸盐 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以83.6%的产率得到2-(4-benzhydryl-piperidin-1-yl)-5-nitro-benzonitrile
  参考文献：
  名称：

  ORGANIC COMPOUNDS

  摘要：

  这项发明涉及公式I的化合物 其中取代基如规范中定义；以自由碱形式或酸盐形式存在；其制备，用作药物以及包含它的药物。

  公开号：

  US20090099199A1
• 作为产物：
  描述：

  二苯基-4-吡啶基甲烷 在 钯 作用下， 以 溶剂黄146 、 3-羟基丙腈 为溶剂， 以59.13 g (80.3%)的产率得到4-苯甲基哌啶盐酸盐
  参考文献：
  名称：

  Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl)

  摘要：

  一种治疗心脏功能障碍、组胺作用和胃分泌过多的方法，使用与以下公式对应的芳基（烷基和烷基烯）-N-[(苯氧基和苯硫基)烷基]氨基杂环化合物：其中Ar为苯基或取代苯基；R为苯基、取代苯基、吡啶基或环烷基；A为氢、羟基、氰基、酰胺基和氨基；Q为--CH.sub.2 --、--CH--或--CHOH--；d和n为零或一，虚线表示双键，符合碳的价；p为零、一或二；m为一至六的整数；B为氧、氮、硫、亚砜基或砜基；z为零或一；l为零或一；W为氢、低烷基、卤素、硝基、低烷氧基或羟基；X为氢、低烷基、卤素、低烷氧基或羟基；Y为--CH(OH)CH.sub.2 OH、--CH(OH)C(O)OH、--C(O)C(O)OH、--C(O)CH.sub.2 OH、--C(O)C(O)OCH.sub.3、--C(O)C(O)OC.sub.2 H.sub.5、--CH.sub.2 C(O)OC.sub.2 H.sub.5、--CH(OH)C(O)OCH.sub.3、--CH(OH)C(O)OC.sub.2 H.sub.5或--C(O)CH.sub.2 OC(O)CH.sub.3；及其药用盐；除上述治疗方法外，其中（B）.sub.z为氧的化合物在治疗哺乳动物的Gell和Coombs第1型过敏反应中是有用的。

  公开号：

  US05070087A1

文献信息

• Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a
  申请人：A. H. Robins Company, Incorporated

  公开号：US04950674A1

  公开（公告）日：1990-08-21

  A method of inhibiting Type 1 allergic responses in a living animal body with substituted heterocyclic amines is disclosed wherein the active agents are expressed generally by the formula which includes certain known and certain known compounds: ##STR1## wherein P is zero, one or two; m is one to six inclusive; A is selected from hydrogen, hydroxy or cyano; d is zero or one; Q is --CH--, CH.sub.2 -- or ##STR2## n is zero or one and when Q is --CH-- and n is one, a double bond is formed with one of the adjacent carbons but not both at the same time, and when n and d are zero at the same time, a double bond is formed between the .alpha. carbon and a carbon of the central heterocyclic amine ring; Ar, D and R are selected from phenyl, substituted phenyl, pyridinyl, thienyl, furanyl or naphthyl and in addition, R may have the values benzyl, substituted benzyl, cycloalkyl or loweralkyl and D may additionally have the values: 2H-1-benzopyran-2-one,4-oxo-4H-1-benzopyran-2-carboxylic acid loweralkyl ester, 2,3-dihydro-4H-1-benzopyran-4-one, 1,4-benzodioxanloweralkyl-2-yl or 1,1'-biphenyl-4-yl and the pharmaceutically acceptable salts thereof.

  揭示了一种利用取代杂环胺抑制活体动物体内的1型过敏反应的方法，其中活性剂通常由以下公式表示：其中P为零、一或二；m为一到六（包括六）；A选自氢、羟基或氰基；d为零或一；Q为--CH--、CH.sub.2--或n为零或一，当Q为--CH--且n为一时，与相邻碳之一形成双键，但不同时与两个相邻碳形成双键；当n和d同时为零时，在中心杂环胺环的α碳和一个碳之间形成双键；Ar、D和R选自苯基、取代苯基、吡啶基、噻吩基、呋喃基或萘基，此外，R可能具有苄基、取代苄基、环烷基或较低烷基的值，D还可能具有以下值：2H-1-苯并吡喃-2-酮、4-氧代-4H-1-苯并吡喃-2-羧酸较低烷基酯、2,3-二氢-4H-1-苯并吡喃-4-酮、1,4-苯并二氧杂环较低烷基-2-基或1,1'-联苯基-4-基，以及其药学上可接受的盐。
• Triazolo and derivatives as chemokine inhibitors
  申请人：Toray Industries, Inc.

  公开号：US06492364B1

  公开（公告）日：2002-12-10

  Novel triazolo derivatives represented by the following formula and pharmaceutically acceptable salts thereof, as well as chemokine inhibitors containing the same as an effective component. These are useful as therapeutic agents for allergic diseases such as bronchial asthma and atopic dermatitis; therapeutic agents for inflammatory diseases such as chronic rheumatoid arthritis; therapeutic agents for autoimmune diseases such as ulcerative colitis and nephritis; and as anti-AIDS drugs.

  由以下公式表示的新颖三唑衍生物及其药用盐，以及含有相同物质作为有效成分的趋化因子抑制剂。这些对于过敏疾病如支气管哮喘和特应性皮炎的治疗剂、慢性类风湿性关节炎等炎症性疾病的治疗剂、溃疡性结肠炎和肾炎等自身免疫疾病的治疗剂以及抗艾滋病药物都是有用的。
• CCR5 Antagonists as Anti-HIV-1 Agents. 1. Synthesis and Biological Evaluation of 5-Oxopyrrolidine-3-carboxamide Derivatives
  作者：Shinichi Imamura、Yuji Ishihara、Taeko Hattori、Osamu Kurasawa、Yoshihiro Matsushita、Yoshihiro Sugihara、Naoyuki Kanzaki、Yuji Iizawa、Masanori Baba、Shohei Hashiguchi

  DOI：10.1248/cpb.52.63

  日期：——

  A novel lead compound, N-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl}-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (1), was identified as a CCR5 antagonist by high-throughput screening using [125I]RANTES and CCR5-expressing CHO cells. The IC50 value of 1 was 1.9 μM. In an effort to improve the binding affinity of 1, a series of 5-oxopyrrolidine-3-carboxamides was synthesized. Introduction of 3,4-dichloro substituents to the central phenyl ring (10i, IC50=0.057 μM; 11b, IC50=0.050 μM) or replacing the 1-methyl group of the 5-oxopyrrolidine moiety with a 1-benzyl group (12e, IC50=0.038 μM) was found to be effective for improving CCR5 affinity. Compound 10i, 11b, and 12e also inhibited CCR5-using HIV-1 envelope-mediated membrane fusion with IC50 values of 0.44, 0.19, and 0.49 μM, respectively.

  一种新型的铅化合物N-3-[4-(4-氟苯甲酰)piperidin-1-基]丙基}-1-甲基-5-氧代-N-苯基吡咯烷-3-羧酰胺（1）通过高通量筛选与[125I]RANTES和CCR5表达的CHO细胞被鉴定为CCR5拮抗剂。化合物1的IC50值为1.9 μM。为了提高化合物1的结合亲和力，合成了一系列5-氧代吡咯烷-3-羧酰胺。向中心苯环引入3,4-二氯取代基（10i，IC50=0.057 μM；11b，IC50=0.050 μM）或用1-苄基取代5-氧代吡咯烷部分的1-甲基基团（12e，IC50=0.038 μM）被发现有效提高了对CCR5的亲和力。化合物10i、11b和12e也分别以0.44、0.19和0.49 μM的IC50值抑制了CCR5使用的HIV-1包膜介导的膜融合。
• Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used
  申请人：A. H. Robins Company, Incorporated

  公开号：US04810713A1

  公开（公告）日：1989-03-07

  A method of treating allergy with substituted heterocyclic amines is disclosed wherein the active agents are expressed generally by the formula which includes certain known and certain novel compounds: ##STR1## wherein p is zero, one or two; m is one to six inclusive; A is selected from hydrogen, hydroxy or cyano; d is zero or one; Q is --CH--, --CH.sub.2 -- or ##STR2## n is zero or one and when Q is --CH-- and n is one, a double bond is formed with one of the adjacent carbons but not both at the same time, and when n and d are zero at the same time, a double bond is formed between the .alpha. carbon and a carbon of the central heterocyclic amine ring; Ar, D and R are selected from phenyl, substituted phenyl, pyridinyl, thienyl, furanyl or naphthyl and in addition, R may have the values benzyl, substituted benzyl, cycloalkyl or loweralkyl and D may additionally have the values: 2H-1-benzopyran-2-one, 4-oxo-4H-1-benzopyran-2-carboxylic acid loweralkyl ester, 2,3-dihydro-4H-1-benzopyran-4-one or 1,4-benzodioxan-loweralkyl-2-yl, and the pharmaceutically acceptable salts thereof.

  本发明涉及一种使用取代杂环胺治疗过敏的方法，其中活性剂通常由以下公式表示，包括某些已知和某些新化合物：##STR1## 其中p为零、一或二；m为一到六之间；A选自氢、羟基或氰基；d为零或一；Q为--CH--、--CH.sub.2--或##STR2## n为零或一，当Q为--CH--且n为一时，与相邻的碳原子之一形成双键，但不能同时与两个碳原子形成双键；当n和d同时为零时，与中心杂环胺环的碳原子之一形成双键；Ar、D和R选自苯基、取代苯基、吡啶基、噻吩基、呋喃基或萘基，此外，R可能为苄基、取代苄基、环烷基或低碳基，D还可能具有以下值：2H-1-苯并吡喃-2-酮、4-氧代-4H-1-苯并吡喃-2-羧酸低碳酸酯、2,3-二氢-4H-1-苯并吡喃-4-酮或1,4-苯并二氧杂环低碳基-2-基，并且其药学上可接受的盐。
• N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents
  申请人：A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation)

  公开号：EP0235463A2

  公开（公告）日：1987-09-09

  Cardiovascular disturbances and the effects of histamine and excessive gastric secretion can be countered by compounds expressed generally by the formula: wherein; p is zero, one or two; m is one to six inclusive; A is hydrogen, -O-R1, -C=N, -(O)NR1R2, -C(O)R1, -C(O)-OR1, -CH2OR1, -CH2NR1R2, or -OC(O)R1; Q is d and n are zero or one and the dotted lines represent double bonds which may form consistent with the valence of carbon; B is Ar, D and R are selected from phenyl and substituted phenyl with certain limitations, pyrldinyl, thienyl, furanyl or naphthyl and, in addition, R may have the values: benzyl, substituted benzyl, cycloalkyl or loweralkyl, and D may additionally have the values: 2H-1-benzopyran-2-one, 4-oxo-4H-1-benzopyran-2-carboxylic acid loweralkyl ester, 1,4-benzodioxanloweralkyl-2-yl or quinolinyl, and the pharmaceutically acceptable addition salts thereof.

  心血管紊乱以及组胺和胃液分泌过多的影响可由一般由式表示的化合物来抵消： 其中 p 为 0、1 或 2； m 是 1 至 6（包括 6）； A 是氢、-O-R1、-C=N、-(O)NR1R2、-C(O)R1、-C(O)-OR1、-CH2OR1、-CH2NR1R2 或 -OC(O)R1； Q 是 d 和 n 为 0 或 1，虚线表示可能形成的与碳价位一致的双键； B 是 Ar、D 和 R 选自苯基和有一定限制的取代苯基、吡啶基、噻吩基、呋喃基或萘基，此外，R 可具有以下值：苄基、取代苄基、环烷基或低级烷基，D 可具有以下值：2H-1-苯并吡喃-2-酮、4-氧代-4H-1-苯并吡喃-2-羧酸低级烷基酯、1,4-苯并二恶烷低级烷基-2-基或喹啉基，以及它们的药学上可接受的加成盐。