6-phenylhexane-1-thiol | 192182-85-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-phenylhexane-1-thiol
• 英文别名: 6-phenylhexanethiol；6-Phenyl-1-hexanethiol
• CAS: 192182-85-7
• 化学式: C₁₂H₁₈S
• 分子量: 194.341
• InChiKey: KTXSNCXJUIBCSW-UHFFFAOYSA-N

物化性质

• 沸点：
  298.2±19.0 °C(Predicted)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-phenylhexane-1-thiol 在 sodium hydroxide 、 TEMPO oxoammonium ion 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以44%的产率得到di(6-phenylhexyl) disulfide
  参考文献：
  名称：

  Important Role of the 3-Mercaptopropionamide Moiety in Glutathione:  Promoting Effect on Decomposition of the Adduct of Glutathione with the Oxoammonium Ion of TEMPO

  摘要：

  Cyclic voltammetry of TEMPO in aqueous 0.1 M NaOH in the presence of glutathione (GSH) or cysteine (Cys) indicated the following points: (i) Both of the thiols rapidly formed adducts 3 with oxoammonium ion 1 anodically generated from TEMPO. (ii) 3 generated from GSH entered a succeeding reaction that generated N-oxide anion 2(-) (the reduced TEMPO). (iii) 3 produced from Cys remained intact over the time scale of voltammetry. A structural feature of GSH was considered to contribute to the observed behavior of this tripeptide. Possible structural features were evaluated by screening various thiols on the basis of whether they provided GSH-like voltammetric results. The 3-mercaptopropionamide group with an amide hydrogen in GSH was determined to be responsible for the observed difference between GSH and Cys. The likely function is to transform 3 from GSH into a 5-imino-1,2-oxathiolane intermediate, thereby releasing 2(-). Product analysis for reactions of model thiols representing GSH and Cys with 1 provided support for this argument and suggested that the reaction of GSH or Cys with 1 would produce the corresponding disulfides, regardless of whether a five-membered ring intermediate was formed. The proposed function of the 3-mercaptopropionamide moiety of GSH may provide useful insight for the molecular design of exogenous thiol compounds as novel drugs for the treatment of GSH-depletion-related disorders.

  DOI：

  10.1021/jo050783c
• 作为产物：
  描述：

  1-溴-6-苯基己烷 在 双(三甲基硫化硅) 、 四丁基氟化铵 、 氯化铵 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 12.0h， 以91%的产率得到6-phenylhexane-1-thiol
  参考文献：
  名称：

  组成对混合配体包覆金纳米粒子催化性能的影响

  摘要：

  条纹催化剂：报告了组成和结构对金纳米颗粒催化效率的影响，该纳米颗粒受到由两种长度不同的配体组成的单层保护（见图）。通过用简单的催化惰性分子稀释催化活性配体分子，可以提高颗粒的催化效率。

  DOI：

  10.1002/anie.201101821

文献信息

• Amide derivatives
  申请人：Muto Susumu

  公开号：US20050215645A1

  公开（公告）日：2005-09-29

  A medicament for enhancing an effect of a cancer therapy based on a mode of action of DNA injury, which comprises as an active ingredient a compound represented by the following general formula (I) or a salt thereof: wherein one of R 1 and R 2 represents hydrogen atom and the other represents the formula —X-A wherein A represents hydrogen atom or an acyl group, X represents oxgen atom or NH; one of R 3 and R 4 represents hydrogen atom and the other represents the following formula: wherein Y represents a sulfonyl group or a carbonyl group, R 5 represents a cyclic group, Z represents a single bond or a C 1 to C 4 alkylene group, R 6 represents hydrogen atom or a C 1 to C 6 alkyl group.

  一种用于增强基于DNA损伤作用的癌症治疗效果的药物，其活性成分为以下一般式(I)或其盐表示的化合物：其中R1和R2中的一个代表氢原子，另一个代表式—X-A，其中A代表氢原子或酰基，X代表氧原子或NH；R3和R4中的一个代表氢原子，另一个代表以下式：其中Y代表磺酰基或羰基，R5代表环状基团，Z代表单键或C1到C4烷基烷基，R6代表氢原子或C1到C6烷基基团。
• Alpha-substituted carboxylic acid derivatives
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20030069294A1

  公开（公告）日：2003-04-10

  The &agr;-substituted carboxylic acid derivatives having the formula (I): 1 wherein R 1 is an alkyl group, etc., R 2 is a hydrogen atom, etc., R 3 is a hydrogen atom, etc., A is ═CH-group, etc., B is an oxygen atom, etc., W 1 is a C 1 -C 8 alkylene group, W 2 is a single bond or a C 1 -C 8 alkylene group, X is a hydrogen atom, etc., Y is an oxygen atom, etc., and Z 1 is an alkoxy group, etc., and pharmacologically acceptable salts, esters and amides thereof are useful for treatment and/or prevention of diabetes mellitus, impaired glucose tolerance, gestational diabetes mellitus, or the like. Some of the derivatives of the formula (I) are novel compounds.

  具有如下式(I)的α-取代羧酸衍生物，其中R1是烷基基团，R2是氢原子，R3是氢原子，A是═CH-基团，B是氧原子，W1是C1-C8烷基基团，W2是单键或C1-C8烷基基团，X是氢原子，Y是氧原子，Z1是烷氧基团，其药理学上可接受的盐、酯和酰胺对于治疗和/或预防糖尿病、糖耐量受损、妊娠期糖尿病等疾病是有用的。其中一些具有如上式(I)的衍生物是新化合物。
• Covalent lipid-phosphono-carboxylic acid conjugates and application
  申请人：Roche Diagnostics GmbH

  公开号：US05955452A1

  公开（公告）日：1999-09-21

  The present invention concerns new lipid derivatives of phosphonocarboxylic acids of the general formula I, ##STR1## in which the meaning of the symbols is elucidated in the description, tautomers thereof and their physiologically tolerated salts of inorganic and organic bases as well as processes for the production thereof and pharmaceutical agents containing these compounds.

  本发明涉及一种新的磷酸酯脂肪衍生物，其通式为I，其中符号的含义在描述中阐明，其互变异构体及其无机和有机碱的生理耐受盐，以及制备这些化合物的方法和含有这些化合物的药物制剂。
• INFLAMMATORY CYTOKINE RELEASE INHIBITOR
  申请人：MUTO Susumu

  公开号：US20090192122A2

  公开（公告）日：2009-07-30

  A medicament having inhibitory activity against NF-κB activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-κB激活活性的药物，其包括以下通式(I)所表示的化合物或其药理学上可接受的盐作为活性成分：其中X代表连接基，A代表氢原子或乙酰基，E代表芳基或杂芳基，环X代表芳烃或杂芳烃。
• Nf-kb activation inhibitors
  申请人：Muto Susumu

  公开号：US20060089395A1

  公开（公告）日：2006-04-27

  A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, circle around (2)} unsubstituted thiazol-2-yl group, or circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above.

  一种药物具有抑制NF-κB活化作用，其包括以下通式(I)所表示的化合物或其药学上可接受的盐、水合物和溶剂化物作为活性成分，其中A代表氢原子或乙酰基，E代表2,5-二取代或3,5-二取代苯基或单环或融合的多环杂环芳基，其可以被取代，但在所述杂环芳基是圆圈(1)}在公式(I)中直接结合—CONH—基团的环为苯环的融合多环杂环芳基，圆圈(2)}未取代的噻唑-2-基团，或者圆圈(3)}未取代的苯并噻唑-2-基团时，不包括该化合物，环Z代表一个芳香烃，除了由公式—O-A所表示的基团外，它也可以有一个或多个取代基，其中A具有与上述定义相同的含义，公式—CONH-E所表示的基团E具有与上述定义相同的含义。