chloro-6 methoxy-1 hexane | 22692-46-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: chloro-6 methoxy-1 hexane
• 英文别名: 1-chloro-6-methoxyhexane；6-chloro-1-methoxyhexane；6-Chlor-hexyl-methyl-aether；6-Chlor-hexyl-methyl-ether；1-Chlor-6-methoxy-hexan
• CAS: 22692-46-2
• 化学式: C₇H₁₅ClO
• 分子量: 150.649
• InChiKey: DSTSPCRSYYOZJY-UHFFFAOYSA-N

物化性质

• 沸点：
  176.6±23.0 °C(Predicted)
• 密度：
  0.930±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  chloro-6 methoxy-1 hexane 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-azido-6-methoxyhexane
  参考文献：
  名称：

  异硫氰酸盐的一氧化氮的生产活性与其极性表面积相关，而不与其亲脂性相关

  摘要：

  对具有不同作用机理的新型抗炎药的需求不断增长。我们基于辛辣香料山葵（Wasabia japonica）中发现的6-（甲基亚磺酰基）己基异硫氰酸酯（6-MITC）合成了一系列异硫氰酸酯2b - h。注意到使用小鼠巨噬细胞样细胞系J774.1对肿瘤细胞体外生长的抑制活性和一氧化氮（NO）的产生。通过Hartree-Fock / 3-21G模型优化所有异硫氰酸酯，并计算log  P值和极性表面积（PSA）值。的甲基亚磺酰基的取代（CH 3 S（O）-R）在6- MITC与甲酰基（CHO-R），甲基硫（CH 2S–R）或甲基（CH 3 –R）基团会降低母体异硫氰酸酯的活性。用甲酰基取代会导致较低的亲脂性（log  P值），而用甲硫基或甲基取代会导致较低的PSA值。异硫氰酸酯的抑制活性显示出与其PSA值更好的相关性，而不是其分配系数（log  P）值。具有较高PSA值和一定程度log P值的异硫氰酸酯 可能具有强大的生物活性。

  DOI：

  10.1016/j.ejmech.2009.08.005
• 作为产物：
  描述：

  1,6-二氯己烷 在 sodium methylate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 5.5h， 生成 chloro-6 methoxy-1 hexane
  参考文献：
  名称：

  Long-acting contraceptive agents: Esters of norethisterone with alkoxy- and halogeno-substituted carboxylic acids

  摘要：

  The chemical synthesis and physical data of several new esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) are reported, which contain either a chloro- or an alkoxy-group as a substituent in the acid side-chain.

  DOI：

  10.1016/0039-128x(83)90099-5

文献信息

• Synthesis and olfactory properties of new macrolides from unsaturated fatty acids and 1,ω-diols
  作者：Lars Rodefeld、Ines Heinemann、Werner Tochtermann

  DOI：10.1016/s0040-4020(98)00226-9

  日期：1998.5

  A sequence to oxo lactones 1 via Barbier-type Gilman-Van-Ess reaction, sonochemical Lemieux oxidation, one-step ether cleavage iodination and phase transfer catalyzed cyclization is presented. Conversion of the oxo lactones 1 into methyl(en)ated macrolides 11 – 13 resulted in highly potent musk fragrances.

  序列以氧代内酯1经由巴尔比埃型吉尔曼-VAN-ESS反应，声化学莱米厄氧化，一步到位醚裂解碘化和相转移催化环化呈现。将羰基内酯1转化为甲基化的大环内酯类化合物11-13会产生高度有效的麝香香气。
• 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines
  申请人：——

  公开号：US20030105098A1

  公开（公告）日：2003-06-05

  The present invention comprises 6-9-Disubstituted 2-[trans-(4-aminocyclohexyl]aminopurines that are useful in inhibiting cyclin dependent kinases, particularly cdk-2. The present invention also provides a method of preventing apoptosis in neuronal cells and a method of inhibiting the development of neoplasms.

  本发明涉及6-9-二取代的2- [转-（4-氨基环己基）]氨基嘌呤，其在抑制细胞周期依赖性激酶，特别是cdk-2方面具有用途。本发明还提供了一种预防神经细胞凋亡和抑制肿瘤发展的方法。
• 6, 9-disubstituted 2-[trans-(4-aminocyclohexyl)amino] purines
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06479487B1

  公开（公告）日：2002-11-12

  The present invention provides novel compounds of the formula (I) wherein R is selected from the group consisting of R2, R2NH—, or R3R4N—R5- wherein R2 is selected from the group consisting of C9-C12 alkyl, Z is selected from the group consisting of phenyl, heterocycle, cycloalkyl, and naphthanlene; and M is selected from the group consisting of hydrogen, C1-C4 alkyl, and wherein each C9-C12 alkyl or Z is optionally substituted with 1 to 3 substituents, which may be the same or different, and which are selected from the group consisting of D, E, wherein each D is independently selected from the group consisting of trifluoromethyl, trifluoromethoxy, and C1-C4 alkoxy; each E is independently selected from the group consisting of Hal, OH, and C1-C8 alkyl; R3 and R4 are selected from the group consisting of hydrogen, C1-C4 alkyl and (CH2)y-phenyl, wherein y is an integer 0-8, with the proviso that R3 and R4 not both be hydrogen; R5 is C1-C8 alkylene; and R1 is selected from the group consisting of cyclopentyl, cyclopentenyl and isopropyl, and the pharmaceutically acceptable salts, optical isomers, and hydrates thereof, with the proviso that when R2 is the group wherein n is 1 or greater; R1 is isopropyl or cyclopentyl; R6 is hydrogen, C1-C4 alkyl, or (CH2)m-phenyl; and Z is phenyl, heterocycle, or cycloalkyl, that Z is substituted with 1 to 3 substituents, which may be the same or different, and which are selected from the group consisting of In addition, the present invention provides a method of inhibiting cyclin dependent kinases, particularly cdk-2. The present invention also provides a method of preventing apoptosis in neuronal cells and a method of inhibiting the development of neoplasms.

  本发明提供了公式(I)的新化合物，其中R选自R2、R2NH-或R3R4N-R5-组成的群，其中R2选自C9-C12烷基，Z选自苯基、杂环、环烷基和萘基；M选自氢、C1-C4烷基和其中每个C9-C12烷基或Z可选择地被1-3个取代基取代，这些取代基可以相同也可以不同，选自D、E组成的群，其中每个D独立地选自三氟甲基、三氟甲氧基和C1-C4烷氧基；每个E独立地选自卤素、羟基和C1-C8烷基；R3和R4选自氢、C1-C4烷基和(CH2)y-苯基，其中y是0-8的整数，但R3和R4不能同时为氢；R5是C1-C8烷基；R1选自环戊基、环戊烯基和异丙基，以及其药学上可接受的盐、光学异构体和水合物，但当R2为n为1或更大的基团时；R1为异丙基或环戊基；R6为氢、C1-C4烷基或(CH2)m-苯基；Z为苯基、杂环或环烷基，但Z被1-3个取代基取代，这些取代基可以相同也可以不同，选自此外，本发明提供了一种抑制细胞周期依赖性激酶，特别是cdk-2的方法。本发明还提供了一种预防神经细胞凋亡和抑制肿瘤发展的方法。
• 6,9-disubstituted 2-[trans-(4-aminocyclohexyl)amino] purines
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06642231B2

  公开（公告）日：2003-11-04

  The present invention comprises 6-9-Disubstituted 2-[trans-(4-aminocyclohexyl]aminopurines that are useful in inhibiting cyclin dependent kinases, particularly cdk-2. The present invention also provides a method of preventing apoptosis in neuronal cells and a method of inhibiting the development of neoplasms.

  本发明涉及6-9-二取代的2-[trans-(4-氨基环己基)氨基]嘌呤，其对抑制细胞周期依赖性激酶，特别是cdk-2具有用处。本发明还提供了一种预防神经细胞凋亡和抑制肿瘤发展的方法。
• BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE
  申请人：Andersen Raymond John

  公开号：US20140248263A1

  公开（公告）日：2014-09-04

  Compounds having a structure of Formula I: wherein G, a, Q, L 2 , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined herein are provided. Uses of such compounds for treatment of various indications, including prostate cancer as well as methods of treatment involving such compounds are also provided.

  提供具有公式I结构的化合物，其中G，a，Q，L2，R1，R2，R3，R4，R5和R6的定义如本文所述。提供了这种化合物用于治疗各种适应症，包括前列腺癌以及涉及这种化合物的治疗方法。