5-[(1-苯基环己基)氨基]戊酸 | 77160-83-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 5-[(1-苯基环己基)氨基]戊酸
• 英文名称: 5-pentanoic acid
• 英文别名: 5-(N-(1-phenylcyclohexyl)amino)pentanoic acid；5-[(1-Phenylcyclohexyl)amino]pentanoic acid
• CAS: 77160-83-9
• 化学式: C₁₇H₂₅NO₂
• 分子量: 275.391
• InChiKey: RZGZMLICFFEUIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  444.1±38.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  5-[(1-苯基环己基)氨基]戊酸 在 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以67%的产率得到1-(1-苯基环己基)哌啶-2-酮
  参考文献：
  名称：

  Metabolism of phencyclidine. The role of the carbinolamine intermediate in the formation of lactam and amino acid metabolites of nitrogen heterocycles

  摘要：

  The transformation of phencyclidine in a mouse liver microsome preparation to several oxidative metabolites was studied. With use of GLC and HPLC methods with internal standards, phencyclidine and six metabolites were quantitated and the amino acid 12, resulting from the alpha-oxidation of the piperidine ring, was produced in 10-50 times greater amounts than the other metabolites. While most piperidines and pyrrolidines produce an amino acid and a corresponding lactam, it was found that phencyclidine was not converted to the lactam 11.

  DOI：

  10.1021/jm00379a011
• 作为产物：
  描述：

  5-氨基-1-戊醇 在 盐酸 、 potassium permanganate 、 4 A molecular sieve 作用下， 以 乙醚 为溶剂， 反应 113.0h， 生成 5-[(1-苯基环己基)氨基]戊酸
  参考文献：
  名称：

  苯环利定的哺乳动物代谢。

  摘要：

  DOI：

  10.1021/jm00138a004

文献信息

• Application of chemical P450 model systems to studies on drug metabolism. I. Phencyclidine. A multi-functional model substrate.
  作者：Hiroshi MASUMOTO、Kaoru TAKEUCHI、Shigeru OHTA、Masaaki HIROBE

  DOI：10.1248/cpb.37.1788

  日期：——

  Cytochrome P450 model and liver microsomal oxidations of drugs were compared using phencyclidine. In general, the chemical reaction systems produced many oxidation products. Besides the formation of the cyclohexane-4-hydroxyl compound (2), hydroxylation of the aromatic ring was favored in the Fenton reaction system (Fe2++H2O2). Formation of an m-hydroxylated product (m-5) was the main aromatic oxidation pathway in the Udenfriend reaction (Fe2+-ascorbic acid-O2), and 2, the piperidine-3-hydroxyl compound (3), and the piperidine-4-hydroxyl compound (4) were also formed. In the system using meso-tetraphenylporphinatoiron chloride (Fe(III)TPPC1) with an oxidant, the main product was the piperidine-3-oxo compound (8). In the liver microsomes system, 2, 4, 8, and m-5, which were all generated by the chemical oxidation reactions, were detected as metabolites of phencyclidine. They were formed by cytochrome P450-dependent reactions. Chemical oxidation systems can be used to study drug metabolism; they can reveal some tendencies of the real metabolis reactions, are easy to operate, and yield sufficient amounts of product.

  使用苯环利定比较了细胞色素P450模型和肝微粒体的药物氧化。一般来说，化学反应系统产生了许多氧化产物。除了形成环己烷-4-羟基化合物（2）外，在芬顿反应体系（Fe2++H2O2）中芳香环的羟基化反应被优先生成。在尤登友反应（Fe2+-抗坏血酸-O2）中，形成m-羟基化产物（m-5）是主要的芳香氧化途径，同时也形成了化合物2、哌啶-3-羟基化合物（3）和哌啶-4-羟基化合物（4）。在使用含氧化剂的美索-四苯基卟啉铁氯化物（Fe(III)TPPC1）体系中，主要产物是哌啶-3-氧化物（8）。在肝微粒体系统中，2、4、8和m-5都是通过化学氧化反应生成的苯环利定代谢物，它们是通过细胞色素P450依赖的反应形成的。化学氧化系统可用于研究药物代谢；它们能够揭示一些真实代谢反应的趋势，操作简单，并能产生足够的产物。
• Dual swab fluid sample collection for split sample testing and fingerprint identification device
  申请人：Guirguis Raouf A

  公开号：US10564155B2

  公开（公告）日：2020-02-18

  An apparatus for testing a fluid sample including a sample receiving member having an opening for receiving a fluid sample, wherein the sample receiving member comprises at least a first and second sample collection chambers, a sample retention member, in fluid communication with the first sample collection chamber, to retain a portion of the fluid sample, and at least one test strip, in fluid communication with the second collection chamber, to indicate the presence or absence of at least one analyte in the fluid sample, wherein the first collection chamber is not in fluid communication with the second collection chamber.

  一种用于检测流体样品的仪器，包括一个样品接收部件，该部件具有一个用于接收流体样品的开口，其中样品接收部件包括至少一个第一和第二样品收集室、一个与第一样品收集室流体相通的用于保留部分流体样品的样品保留部件，以及至少一个与第二收集室流体相通的用于指示流体样品中是否存在至少一种分析物的测试条，其中第一收集室不与第二收集室流体相通。
• Mouse/human chimeric anti-phencyclidine antibody and uses thereof
  申请人：——

  公开号：US20040242848A1

  公开（公告）日：2004-12-02

  The present invention provides a chimeric mouse/human antibody (ch-mAb6B5) for treatment of abuse and toxicity of the arylcyclohexylamines class of drugs (i.e., phencyclidine- or PCP-like drugs). This antibody comprises light and heavy chain PCP binding regions of mouse mAb6B5, coupled to the light and heavy chain constant regions of a human kappa IgG 2 or IgG 4 isoform. Also provided are the DNA and amino acid sequences of the chimeric light and heavy chain of this antibody. Further provided are data that demonstrate that the new chimeric antibody retains the high affinity and specificity of a previously generated mouse anti-PCP monoclonal antibody (mAb6B5) yet being minimally immunogenic since it has human immunoglobulin constant region. This new medication would allow safe and effective treatment of PCP drug overdose, decrease mortality, and reduce harmful effects due to excessive and prolonged PCP drug use.

  本发明提供了一种嵌合小鼠/人抗体（ch-mAb6B5），用于治疗芳基环己胺类药物（即苯环利定或五氯苯酚类药物）的滥用和毒性。该抗体由小鼠 mAb6B5 的轻链和重链五氯苯酚结合区与人 kappa IgG 的轻链和重链恒定区耦合而成。 2 或 IgG 4 异构体。此外，还提供了该抗体嵌合轻链和重链的 DNA 和氨基酸序列。进一步提供的数据表明，这种新的嵌合抗体保留了以前产生的小鼠抗五氯苯酚单克隆抗体（mAb6B5）的高亲和力和特异性，但由于它具有人类免疫球蛋白恒定区，因此免疫原性极低。这种新药可安全有效地治疗五氯苯酚药物过量，降低死亡率，并减少因过量和长期使用五氯苯酚药物而产生的有害影响。
• INTEGRATED DEVICE FOR ANALYTE TESTING, CONFIRMATION, AND DONOR IDENTITY VERIFICATION
  申请人：Biotechpharma Corporation

  公开号：EP2252891A1

  公开（公告）日：2010-11-24
• MOUSE/HUMAN CHIMERIC ANTI-PHENCYCLIDINE ANTIBODY AND USES THEREOF
  申请人：Owens S. Michael

  公开号：US20070207145A1

  公开（公告）日：2007-09-06

  The present invention provides a chimeric mouse/human antibody (ch-mAb6B5) for treatment of abuse and toxicity of the arylcyclohexylamines class of drugs (i.e., phencyclidine- or PCP-like drugs). This antibody comprises light and heavy chain PCP binding regions of mouse mAb6B5, coupled to the light and heavy chain constant regions of a human kappa IgG 2 or IgG 4 isoform. Also provided are the DNA and amino acid sequences of the chimeric light and heavy chain of this antibody. Further provided are data that demonstrate that the new chimeric antibody retains the high affinity and specificity of a previously generated mouse anti-PCP monoclonal antibody (mAb6B5) yet being minimally immunogenic since it has human immunoglobulin constant region. This new medication would allow safe and effective treatment of PCP drug overdose, decrease mortality, and reduce harmful effects due to excessive and prolonged PCP drug use.