N-cyclohexylnitrilium ion

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-cyclohexylnitrilium ion
• 英文别名: Cyclohexyl isocyanide(1+)；cyclohexyl(methylidyne)azanium
• 化学式: C₇H₁₂N
• 分子量: 110.179
• InChiKey: CUAGXVQIGHFUSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  4.4
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  N-cyclohexylnitrilium ion 在 盐酸 作用下， 生成 异氰环已烷
  参考文献：
  名称：

  酸催化环己基异氰化物和p K水解的动力学和机理及N-环己基硝酸根离子的测定

  摘要：

  提出了酸催化环己基异氰酸酯水解的新机理。它是特定的酸/一般碱催化反应，涉及到异氰酸酯的快速，预平衡的C-质子化，然后是水对质子化的异氰酸酯的电子不足的碳的速率决定性的攻击。该p ķ一个的Ñ -cyclohexylnitrilium离子测定为0.86±0.05。

  DOI：

  10.1016/s0040-4039(01)00863-2
• 作为产物：
  描述：

  异氰环已烷 在 盐酸 作用下， 生成 N-cyclohexylnitrilium ion
  参考文献：
  名称：

  酸催化环己基异氰化物和p K水解的动力学和机理及N-环己基硝酸根离子的测定

  摘要：

  提出了酸催化环己基异氰酸酯水解的新机理。它是特定的酸/一般碱催化反应，涉及到异氰酸酯的快速，预平衡的C-质子化，然后是水对质子化的异氰酸酯的电子不足的碳的速率决定性的攻击。该p ķ一个的Ñ -cyclohexylnitrilium离子测定为0.86±0.05。

  DOI：

  10.1016/s0040-4039(01)00863-2

文献信息

• Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease
  申请人：Coburn A. Craig

  公开号：US20070021454A1

  公开（公告）日：2007-01-25

  The present invention is directed to spiropiperidine compounds of formula (I) and tautomers thereof, which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及式（I）及其互变异构体的螺环吡啶化合物，这些化合物是β-分泌酶酶的抑制剂，并且在治疗β-分泌酶酶参与的疾病，如阿尔茨海默病方面是有用的。本发明还涉及包括这些化合物的制药组合物以及在治疗β-分泌酶酶参与的这些疾病中使用这些化合物和组合物的用途。
• Discovery of a Novel Enzyme, Isonitrile Hydratase, Involved in Nitrogen-Carbon Triple Bond Cleavage
  作者：Masahiko Goda、Yoshiteru Hashimoto、Sakayu Shimizu、Michihiko Kobayashi

  DOI：10.1074/jbc.m007856200

  日期：2001.6

  mass of about 59 kDa and consisted of two identical subunits. The enzyme stoichiometrically catalyzed the hydration of cyclohexyl isocyanide (an isonitrile) to N-cyclohexylformamide, but no formation of other compounds was detected. The apparent K(m) value for cyclohexyl isocyanide was 16.2 mm. Although the enzyme acted on various isonitriles, no nitriles or amides were accepted as substrates.

  含有N三键C三键的异腈被微生物sp降解。N19-2，在存在此化合物的情况下，经过2个月的驯化培养从土壤中分离出来。降解异腈的微生物被鉴定为恶臭假单胞菌。发现微生物降解通过酶促反应进行，异腈被水合成相应的N-取代的甲酰胺。该酶被称为异腈水合酶，经过纯化和鉴定。天然酶的分子量约为59 kDa，由两个相同的亚基组成。该酶化学计量催化环己基异氰化物（异腈）水合为N-环己基甲酰胺，但未检测到其他化合物的形成。环己基异氰化物的表观K（m）值为16.2mm。
• Isonitrile Hydratase from Pseudomonas putidaN19–2
  作者：Masahiko Goda、Yoshiteru Hashimoto、Masanori Takase、Sachio Herai、Yasuhito Iwahara、Hiroki Higashibata、Michihiko Kobayashi

  DOI：10.1074/jbc.m208571200

  日期：2002.11

  Isonitrile hydratase is a novel enzyme in Pseudomonas putida N19-2 that catalyzes the conversion of isonitriles to N-substituted formamides. Based on N-terminal and internal amino acid sequences, a 535-bp DNA fragment corresponding to a portion of the isonitrile hydratase gene was amplified, which was used as a probe to clone a 6.4-kb DNA fragment containing the whole gene. Sequence analysis of the 6.4-kb fragment revealed that the isonitrile hydratase gene (inhA) was 684 nucleotides long and encoded a protein with a molecular mass of 24,211 Da. Overexpression of inhA in Escherichia coli gave a large amount of soluble isonitrile hydratase exhibiting the same molecular and catalytic properties as the native enzyme from the Pseudomonas strain. The predicted amino acid sequence of inhA showed low similarity to that of an intracellular protease in Pyrococcus horikoshii (PH1704), and an active cysteine residue in the protease was conserved in the isonitrile hydratase at the corresponding position (Cys-101). A mutant enzyme containing Ala instead of Cys-101 did not exhibit isonitrile hydratase activity at all, demonstrating the essential role of this residue in the catalytic function.
• DIPEPTIDYL KETOAMIDE COMPOUNDS AND THEIR USE FOR THE TREATMENT AND/OR PREVENTION OF FAT ACCUMULATION
  申请人：LANDSTEINER GENMED, S.L.

  公开号：EP3191112B1

  公开（公告）日：2019-03-20
• ALPHA-AMINOAMIDINE POLYMERS AND USES THEREOF
  申请人：Massachusetts Institute of Technology

  公开号：US20140322309A1

  公开（公告）日：2014-10-30

  α-Aminoamidine polymers and methods of preparing a-aminoamidine polymers by reacting by reacting one or more amines with one or more isocyanides and one or more aldehydes are described. Methods of preparing a-aminoamidine polymers from commercially available starting materials are also provided, wherein the starting materials are racemic or stereochemically pure. a-Aminoamidine polymers or salt forms thereof are preferably biodegradable and biocompatible and may be used in a variety of drug delivery systems and for other purposes as well such as, for example, coatings, additives, excipients, plastics, and materials, etc. Given the amino moiety of these α-aminoamidine polymers, they are particularly suited for the delivery of polynucleotides. Complexes, micelles, liposomes or particles containing the inventive α-aminoamidine polymers and polynucleotides can be prepared. The inventive α-aminoamidine polymers may also be used in preparing microparticles for drug delivery. They are particularly useful in delivering labile agents given their ability to buffer the pH of their surroundings.