9-hydroxynonyl 4-methylbenzenesulfonate | 1146096-85-6

• 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: 9-hydroxynonyl 4-methylbenzenesulfonate
• CAS: 1146096-85-6
• 化学式: C₁₆H₂₆O₄S
• 分子量: 314.446
• InChiKey: XUCCIBIEPCJLAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-hydroxynonyl 4-methylbenzenesulfonate 在 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 8,10-十二碳二烯-1-醇
  参考文献：
  名称：

  [EN] SYNTHESIS OF PHEROMONES AND RELATED MATERIALS VIA OLEFIN METATHESIS
  [FR] SYNTHÈSE DE PHÉROMONES ET DE MATÉRIAUX APPARENTÉS PAR MÉTATHÈSE D'OLÉFINES

  摘要：

  公开号：

  WO2018150379A3
• 作为产物：
  描述：

  1,9-壬二醇 、 对甲苯磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以71%的产率得到9-hydroxynonyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  利用烷氧基自由基引发的自由基中继环化反应构建碳杂环和杂环

  摘要：

  利用烷氧基自由基引发的自由基中继环化，已经开发出一种快速构建碳环和杂环的有效方法。线性底物被环化以优异的收率形成各种环戊烷，吡咯烷，四氢吡喃和四氢呋喃衍生物。该方法被用作合成（-）-两性内酯K中四氢呋喃片段的关键步骤。

  DOI：

  10.1021/ol900481e

文献信息

• Dehydroxylative Trifluoromethylthiolation, Trifluoromethylation, and Difluoromethylation of Alcohols
  作者：Wei Zhang、Jin‐Hong Lin、Wenfeng Wu、Yu‐Cai Cao、Ji‐Chang Xiao

  DOI：10.1002/cjoc.201900364

  日期：2020.2

  functionalities for drug development. Despite significant accomplishments in the trifluoromethylthiolation, trifluoromethylation and difluoromethylation reactions, directly converting common functional groups into CF3S, CF3 or HCF2 groups is still highly desirable. Described here is the dehydroxylative trifluoromethylthiolation, trifluoromethylation and difluoromethylation of alcohols promoted by a R3P/ICH2CH2I

  CF 3 S，CF 3和HCF 2基团已被确定为药物开发的有价值的功能。尽管在三氟甲基硫醇化，三氟甲基化和二氟甲基化反应方面取得了重大成就，仍然非常需要将常见的官能团直接转化为CF 3 S，CF 3或HCF 2基团。在此描述的是由R 3 P / ICH 2 CH 2 I体系促进的醇的脱羟基三氟甲基硫醇化，三氟甲基化和二氟甲基化。所有这些脱羟基反应都是在温和条件下通过R活化羟基而实现的3 P / ICH 2 CH 2 I系统。观察到较宽的底物范围和良好的官能团耐受性。
• [EN] SELECTIVE BCL-XL PROTAC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS BCL-XL PROTAC SÉLECTIFS ET PROCÉDÉS D'UTILISATION
  申请人：SERVIER LAB

  公开号：WO2022169780A1

  公开（公告）日：2022-08-11

  The present disclosure provides PROTAC compounds represented by Formula (A): D-L-DSM (A), or an enantiomer, a diastereoisomer, and/or a pharmaceutically acceptable salt of any one of the foregoing, wherein: DSM is a degradation signaling compound e.g., an E3 ubiquitin ligase recruitment ligand, such as a CRBN ligand or a VHL ligand) covalently attached to a linker L; L is a linker that covalently attaches DSM to D; and D is a Bcl-xL inhibitor compound of Formula (I) or Formula (II) covalently attached to the linker L: (I); (II) wherein the definitions for the variables are described herein. Also provided are pharmaceutical compositions comprising the PROTAC compounds of the present disclosure and methods of use and methods of making thereof.

  本公开提供了由公式（A）表示的PROTAC化合物：D-L-DSM（A），或其对映体，异构体和/或药学上可接受的盐，其中：DSM是降解信号化合物（例如，E3泛素连接酶招募配体，例如CRBN配体或VHL配体）共价连接到连接物L上；L是将DSM共价连接到D的连接物；而D是公式（I）或公式（II）的Bcl-xL抑制剂化合物，共价连接到连接物L上：（I）；（II），其中变量的定义在此处描述。还提供了包括本公开的PROTAC化合物的制药组合物以及使用方法和制备方法。
• Potent Oligomerization and Macrocyclization Activity of the Thioesterase Domain of Vicenistatin Polyketide Synthase
  作者：Tadashi Eguchi、Fumitaka Kudo、Yusaku Asou、Moe Watanabe、Takashi Kitayama

  DOI：10.1055/s-0031-1290385

  日期：2012.7

  The thioesterase domain of the polyketide synthase involved in the biosynthesis of the 20-membered macrolactam antibiotic vicenistatin (VinTE) was found to catalyze oligomerization and macrocyclization of omega-hydroxy fatty acid ethyl esters to afford 17-28-membered macrocyclic lactones. The ring sizes of the macrocycles appear to be limited to the more moderate sizes because of the space limitation of the active site of VinTE. It was also verified that the initially formed linear dimer is first released from the active site of VinTE and then is recognized again by VinTE prior to its transformation to the cyclic dimer.
• Mild Method for the Selective Esterification of Carboxylic Acids Based on the Garegg−Samuelsson Reaction
  作者：Sara P. Morcillo、Luis Álvarez de Cienfuegos、Antonio J. Mota、José Justicia、Rafael Robles

  DOI：10.1021/jo102395c

  日期：2011.4.1

  A mild method for the selective esterification of primary alcohols is described. The use of different phosphines, I-2, and imidazole allows the selective esterification: of a wide variety of acids with excellent results. The generation of a bulky phosphonitun-carboxylate salt as intermediate could justify the selectivity observed in this process. Additionally, amides also can be synthesized with use of this method.
• [EN] HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE<br/>[FR] COMPOSÉS HÉTÉRO-BIFONCTIONNELS ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES
  申请人：[en]HALDA THERAPEUTICS OPCO, INC.

  公开号：WO2023059581A1

  公开（公告）日：2023-04-13

  The invention provides heterobifunctional compounds comprising an effector protein binding moiety selected from mTor, PLK1, CDK1, CDK2, CDK9, BRD4, AURKA, AURKB, MEK, Src, c-KIT, KIF11, HSP90, tubulin, proteasome, topoisomerase or HD AC which is linked to a moiety that binds to a target protein selected from KRAS, HER2 or EGFR. Pharmaceutical compositions and their use in treating disease, such as cancer, are also disclosed.