trans-4-iodocyclohexanol | 146651-22-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trans-4-iodocyclohexanol
• 英文别名: trans-4-Iod-cyclohexanol
• CAS: 146651-22-1
• 化学式: C₆H₁₁IO
• 分子量: 226.057
• InChiKey: RTOQMEPDSYPXOE-IZLXSQMJSA-N

物化性质

• 熔点：
  59.2-60.3 °C
• 沸点：
  253.4±33.0 °C(Predicted)
• 密度：
  1.76±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  trans-4-iodocyclohexanol 在 吡啶 、 4-二甲氨基吡啶 、 氢氟酸 、 六正丁基二锡 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 24.0h， 生成 (6R,7R,10S,11R,14S,15R,18R,19S,22R)-27-[(2S,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-6,11,19-trimethyl-25-methylidene-2,23-dioxahexacyclo[27.2.2.118,22.07,11.010,15.014,19]tetratriacontane-3,24-dione
  参考文献：
  名称：

  Free radical macrocyclizations from steroid-derived precursors

  摘要：

  Stereoselective free radical addition reactions were studied using steroid-derived templates in an attempt to control product dispersity. Templates were prepared from bifunctional steroids appropriately substituted with initiating and terminating functionality. Free radical initiation in the presence of a polymerizable olefin resulted in the formation of macrocycles that had incorporated monomer. The yield of macrocycle formed was as high as 51 % for templates derived from lithocholic acid whereas templates derived from androstanolone failed to give significant amounts of macrocycles. The effects of variation of initiating and terminating functionality, steroid, and olefin on macrocycle size and yield were examined.

  DOI：

  10.1021/jo00057a034
• 作为产物：
  描述：

  1,4-环氧环己烷 在 氢碘酸 作用下， 反应 1.0h， 以69%的产率得到trans-4-iodocyclohexanol
  参考文献：
  名称：

  Free radical macrocyclizations from steroid-derived precursors

  摘要：

  Stereoselective free radical addition reactions were studied using steroid-derived templates in an attempt to control product dispersity. Templates were prepared from bifunctional steroids appropriately substituted with initiating and terminating functionality. Free radical initiation in the presence of a polymerizable olefin resulted in the formation of macrocycles that had incorporated monomer. The yield of macrocycle formed was as high as 51 % for templates derived from lithocholic acid whereas templates derived from androstanolone failed to give significant amounts of macrocycles. The effects of variation of initiating and terminating functionality, steroid, and olefin on macrocycle size and yield were examined.

  DOI：

  10.1021/jo00057a034

文献信息

• [EN] BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSÉS BENZOLACTAMES UTILISÉS EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2017068412A1

  公开（公告）日：2017-04-27

  The invention provides a compound of formula (0): or a pharmaceutically acceptable salt, N-oxide or tautomer thereof. The compounds are inhibitors of ERK 1/2 kinases and will be useful in the treatment of ERKl/2-mediated conditions. The compounds are therefore useful in therapy, in particular in the treatment of cancer.

  该发明提供了一个化合物，其化学式为(0)：或其药学上可接受的盐、N-氧化物或互变异构体。这些化合物是ERK 1/2激酶的抑制剂，并将在治疗ERKl/2介导的疾病中发挥作用。因此，这些化合物在治疗中特别是在癌症治疗中是有用的。
• [EN] 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS<br/>[FR] COMPOSES 1H-PYRAZOLE 3,4-DISUBSTITUES ET LEUR UTILISATION EN TANT QUE KINASES DEPENDANT DES CYCLINES (CDK) ET MODULATEURS DE LA GLYCOGENE SYNTHASE KINASE-3 (GSK-3)
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2005012256A1

  公开（公告）日：2005-02-10

  The invention provides compounds of the formula (0) or salts or tautomers or N-oxides or solvates thereof for use in the prophylaxis or treatment of disease states and conditions such as cancers mediated by cyclin-dependent kinase and glycogen synthase kinase-3. Formula (0). In formula (0): X is a group R1-A-NR4- or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, S02, C=O, NRg(C=O) or O(C=O) wherein Rg is hydrogen or C1-4 hydrocarbyl optionally substituted by hydroxy or C1-4 alkoxy; Y is a bond or an alkylene chain of 1, 2 or 3 carbon atoms in length; R1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or a C1-8 hydrocarbyl group optionally substituted by one or more substituents selected from halogen (e.g. fluorine), hydroxy, C1-4 hydrocarbyloxy, amino, mono- or di-C1-4 hydrocarbylamino, and carbocyclic or heterocyclic groups having from 3 to 12 ring members, and wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from 0, S, NH, SO, S02; R2 is hydrogen; halogen; C1-4 alkoxy (e.g. methoxy); or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4 alkoxy (e.g. methoxy); R3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R4 is hydrogen or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4 alkoxy (e.g. methoxy).

  该发明提供了以下式（0）的化合物或其盐或互变异构体或N-氧化物或其溶剂合物，用于预防或治疗由细胞周期依赖性激酶和糖原合成酶-3介导的癌症等疾病状态和病症。在式（0）中：X是一个基团R1-A-NR4-或一个5-或6-成员的碳环或杂环；A是一个键，S02，C=O，NRg（C=O）或O（C=O），其中Rg是氢或C1-4烃基，可以选择性地被羟基或C1-4烷氧基取代；Y是一个键或一个由1、2或3个碳原子组成的烷基链；R1是氢；一个具有3到12个环成员的碳环或杂环基团；或一个C1-8烃基，可以选择性地被卤素（如氟）、羟基、C1-4烷氧基、氨基、单或双C1-4烃基氨基以及具有3到12个环成员的碳环或杂环基团取代，其中烃基的1或2个碳原子可以选择性地被从0、S、NH、SO、S02中选择的原子或基团所取代；R2是氢；卤素；C1-4烷氧基（如甲氧基）；或一个C1-4烃基，可以选择性地被卤素（如氟）、羟基或C1-4烷氧基（如甲氧基）取代；R3从氢和具有3到12个环成员的碳环或杂环基团中选择；R4是氢或一个C1-4烃基，可以选择性地被卤素（如氟）、羟基或C1-4烷氧基（如甲氧基）取代。
• [EN] HETEROCYCLIC PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE KINASE HÉTÉROCYCLIQUES
  申请人：TOLERO PHARMACEUTICALS INC

  公开号：WO2013013188A1

  公开（公告）日：2013-01-24

  The present invention provides protein kinase having one of the following structures (I), (II) or (III): or a stereoisomer, prodrug, tautomer or pharmaceutically acceptable salt thereof, wherein R, R1, R2 and X are as defined herein. Compositions and methods for using the same in the treatment of cancer, autoimmune, inflammatory and other Pim kinase-associated conditions are also disclosed.

  本发明提供具有以下结构之一的蛋白激酶（I）、（II）或（III）：或其立体异构体、前药、互变异构体或药用可接受盐，其中R、R1、R2和X如本文所定义。还公开了在治疗癌症、自身免疫、炎症和其他Pim激酶相关疾病中使用这些蛋白激酶的组合物和方法。
• [EN] PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS<br/>[FR] COMPOSES DE PYRAZOLO[3,4-B]PYRIDINE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PHOSPHODIESTERASE
  申请人：GLAXO GROUP LTD

  公开号：WO2004056823A1

  公开（公告）日：2004-07-08

  The invention relates to a compound of formula (I) or a salt thereof: Formula (I) wherein: R1 is C1-4alkyl, C1-3fluoroalkyl or -(CH2)2OH; R2 is a hydrogen atom (H), methyl or C1fluoroalkyl; R3a is a hydrogen atom (H) or C1-3alkyl; R3 is optionally substituted branched C3-6alkyl, optionally substituted C3-8cycloalkyl, optionally substituted mono-unsaturated-C5-7cycloalkenyl, optionally substituted phenyl, or an optionally substituted heterocyclic group of sub-formula (aa), or (bb) or (cc) in which n1 and n2 independently are 1 or 2; and Y is O, S, SO2, or NR4; and wherein Het is of sub-formula (i), or (ii), or (iii), or (iv) or (v). The compounds are phosphodiesterase (PDE) inhibitors, in particular PDE4 inhibitors. Also provided is the use of a compound of formula (I), or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for the treatment and/or prophylaxis of an inflammatory and/or allergic disease in a mammal such as a human, for example chronic obstructive pulmonary disease (COPD), asthma, or allergic rhinitis.
• [EN] PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF<br/>[FR] DÉRIVÉ DE PYRIDO[3,4-d]PYRIMIDINE ET SEL PHARMACEUTIQUEMENT ACCEPTABLE DE CELUI-CI<br/>[JA] ピリド［３，４－ｄ］ピリミジン誘導体及びその薬学的に許容される塩
  申请人：TEIJIN PHARMA LTD

  公开号：WO2016194831A1

  公开（公告）日：2016-12-08

  本発明の目的は、優れたＣＤＫ４／６阻害活性を有する化合物を提供することである。　本発明は、一般式（Ｉ）で表される化合物又はその薬学的に許容される塩で ある。