(碘甲基)环庚烷 | 226723-95-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机碘化物
• 中文名称: (碘甲基)环庚烷
• 英文名称: cycloheptylmethyl iodide
• 英文别名: (iodomethyl)cycloheptane；iodomethylcycloheptane
• CAS: 226723-95-1
• 化学式: C₈H₁₅I
• 分子量: 238.112
• InChiKey: VCDFCRRIMCDUPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (碘甲基)环庚烷 在 palladium 10% on activated carbon 正丁基锂 、 氢气 、 sodium hydride 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， -78.0~100.0 ℃ 、345.01 kPa 条件下， 反应 9.33h， 生成 (2S)-tert-butyl-2-(cycloheptylmethyl)-5-(3,5-difluorophenyl)-4-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
  参考文献：
  名称：

  NEW 5-ALKYNYL-PYRIDINES

  摘要：

  本发明涉及一般式I的新的CGRP拮抗剂，其中R1、R2、R3、Ra、Rb、Rc、X、Y和Z的定义如下所述，各个对映体、各个对映体和其盐，特别是其与无机或有机酸或碱形成的生理上可接受的盐，含有这些化合物的药物、其用途以及其制备方法。

  公开号：

  US20120196872A1
• 作为产物：
  描述：

  环庚烷甲醇 在 三乙胺 、 sodium iodide 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 3.0h， 生成 (碘甲基)环庚烷
  参考文献：
  名称：

  1-(N-Alkylamino)-11-(N-ethylamino)-4,8-diazaundecanes:  Simple Synthetic Polyamine Analogues That Differentially Alter Tubulin Polymerization

  摘要：

  Polyamine analogues such as bis(ethyl)norspermine and N-1-(cyclopropylmethyl)-N-11-ethyl-4,8-diazaundecane (CPENSpm) act as potent modulators of cellular polyamine metabolism in vitro and possess impressive antitumor activity against a number of cell lines. Some of these polyamine analogues appear to produce their cell-type-specific cytotoxic activity through the superinduction of spermidine/spermine N-1-acetyltransferase (SSAT). However, there are several analogues (e.g., N-1-(cycloheptylmethyl)-N-11-ethyl-4,8-diazaundecane (CHENSpm)) which are effective cytotoxic agents but do not superinduce SSAT. We have previously demonstrated that CPENSpm and CHENSpm both initiate the cell death program, although by different mechanisms, and that CHENSpm (but not CPENSpm) induces a G(2)/M cell cycle arrest. We now report that one potential mechanism by which some polyamine analogues can retard growth and ultimately produce cytotoxicity is through interference with normal tubulin polymerization. In these studies, we compare the effects of the polyamine analogues CHENSpm, CPENSpm, and (S)-N-1-(2-methyl-1-butyl)-N-11-ethyl-4,8-diazaundecane (IPENSpm) on in vitro tubulin polymerization. These spermine analogues behave very differently from spermine and from each other in terms of tubulin polymerization rate, equilibrium levels, and time of polymerization initiation. These results demonstrate that structurally similar polyamine analogues with potent antitumor effects can produce significantly different cellular effects. The discovery of polyamine analogues that can alter tubulin polymerization provides a series of promising lead compounds that: may have a similar spectrum of activity to more difficult to synthesize compounds typified by paclitaxel.

  DOI：

  10.1021/jm980603+
• 作为试剂：
  描述：

  N-二苯亚甲基-甘氨酸叔丁酯 在 ammonium chloride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 环己烷 、 (碘甲基)环庚烷 为溶剂， 以2.56 g (73%)的产率得到2-(Benzhydrylidene-amino)-3-cycloheptyl-propionic acid tert-butyl ester
  参考文献：
  名称：

  Isoindolin-1-one glucokinase activators

  摘要：

  异吲哚啉-1-酮取代丙酰胺葡萄糖激酶激活剂，用于治疗II型糖尿病，能增加胰岛素分泌。

  公开号：

  US20020082260A1

文献信息

• [EN] C-5 SUBSTITUTED FURANONE DIPEPTIDE CATHEPSIN S INHIBITORS<br/>[FR] INHIBITEURS DE LA CATHEPSINE DU FURANONE DIPEPTIDE SUBSTITUE EN C-5
  申请人：MEDIVIR UK LTD

  公开号：WO2005082876A1

  公开（公告）日：2005-09-09

  Compounds of the formula (I), where R is H, F or OH, Q is -(CH2)n- and n is 1, 2 or 3; are inhibitors of cathepsin S and have utility in the treatment of certain immune disorders and chronic pain.

  式（I）的化合物，其中R为H，F或OH，Q为-(CH2)n-，n为1、2或3；是cathepsin S的抑制剂，在治疗某些免疫性疾病和慢性疼痛方面具有用途。
• Substituted piperazines as CGRP antagonists
  申请人：Dreyer Alexander

  公开号：US08765763B2

  公开（公告）日：2014-07-01

  The present invention relates to new CGRP-antagonists of general formula I wherein R1, R2, R3, Ra, Rb, Rc, X, Y and Z are defined as mentioned hereinafter, the individual diastereomers, the individual enantiomers and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, medicaments containing these compounds, the use thereof and processes for the preparation thereof.

  本发明涉及一种新的CGRP拮抗剂，其一般式为I，其中R1、R2、R3、Ra、Rb、Rc、X、Y和Z的定义如下所述，包括单独的对映体、单独的手性体和其盐，特别是与无机或有机酸或碱的生理上可接受的盐，含有这些化合物的药物，其使用和制备过程。
• ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNSIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME
  申请人：UNIVERSITE DE CAEN

  公开号：US20160122300A1

  公开（公告）日：2016-05-05

  Compounds are provided according to Formula (I) as well as their enantiomers and their racemics, their acid salts, their hydrates or their solvation products. Among a large number of possible meanings, X represents a halogen, Y an oxygen atom; all of the coefficients m, n, r and s have the value 1, R represents an ethyl and R′ a cycloalkyl. The invention also includes Methods of preparing the above compounds and the pharmaceutical compositions containing them also are provided.

  化合物根据公式（I）提供，以及它们的对映体和它们的混合物，它们的酸盐，它们的水合物或它们的溶剂化物。在许多可能的含义中，X代表卤素，Y代表氧原子；所有系数m，n，r和s的值均为1，R代表乙基，R′代表环烷基。该发明还包括制备上述化合物的方法以及含有它们的制药组合物。
• Discovery, Structure−Activity Relationships, Pharmacokinetics, and Efficacy of Glucokinase Activator (2<i>R</i>)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-<i>N</i>-thiazol-2-yl-propionamide (RO0281675)
  作者：Nancy-Ellen Haynes、Wendy L. Corbett、Fred T. Bizzarro、Kevin R. Guertin、Darryl W. Hilliard、George W. Holland、Robert F. Kester、Paige E. Mahaney、Lida Qi、Cheryl L. Spence、John Tengi、Mark T. Dvorozniak、Aruna Railkar、Franz M. Matschinsky、Joseph F. Grippo、Joseph Grimsby、Ramakanth Sarabu

  DOI：10.1021/jm100039a

  日期：2010.5.13

  Glucokinase (GK) is a glucose sensor that couples glucose metabolism to insulin release. The important role of GK in maintaining glucose homeostasis is illustrated in patients with GK mutations. In this publication, identification of the hit molecule 1 and its SA R development, which led to the discovery of potent allosteric GK activators 9a and 21a, is described. Compound 21a (RO0281675) was used to validate the clinical relevance of targeting GK to treat type 2 diabetes.
• ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1349856A2

  公开（公告）日：2003-10-08