(1,4-dioxan-2-yl)methyl 4-methylbenzenesulfonate | 1512718-16-9

• 物质功能分类: 生物化工 - 氨基酸及其衍生物
• 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: (1,4-dioxan-2-yl)methyl 4-methylbenzenesulfonate
• 英文别名: (+/-)-(1,4-Dioxan-2-YL)methyl 4-methylbenzenesulfonate；1,4-dioxan-2-ylmethyl 4-methylbenzenesulfonate
• CAS: 1512718-16-9
• 化学式: C₁₂H₁₆O₅S
• mdl: MFCD17018687
• 分子量: 272.322
• InChiKey: JOMHMWCSNNGYNP-UHFFFAOYSA-N

物化性质

• 沸点：
  421.1±25.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (1,4-dioxan-2-yl)methyl 4-methylbenzenesulfonate 以68的产率得到[1,4]二噁-2-甲基甲胺盐酸盐
  参考文献：
  名称：

  Organic Process Research and Development. 2010, 14, 849-858

  摘要：

  DOI：
• 作为产物：
  描述：

  (2R)-2-[(2-氯乙氧基)甲基]环氧乙烷 以64的产率得到(1,4-dioxan-2-yl)methyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Organic Process Research and Development. 2010, 14, 849-858

  摘要：

  DOI：

文献信息

• 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS
  申请人：NOVARTIS AG

  公开号：US20210107889A1

  公开（公告）日：2021-04-15

  Provided herein are compounds according to Formula (I) or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 5 , and R 7 are defined herein. Also provided herein are pharmaceutical compositions comprising a compound of Formula (I) as well as the use of such compounds as M4 receptor agonists.

  本文提供了根据式（I）或其药学上可接受的盐的化合物，其中R1、R2、R3、R5和R7在此处被定义。本文还提供了包含式（I）化合物的药物组合物，以及将这些化合物用作M4受体激动剂的用途。
• Mode of interaction of 1,4-dioxane agonists at the M2 and M3 muscarinic receptor orthosteric sites
  作者：Fabio Del Bello、Alessandro Bonifazi、Wilma Quaglia、Angelica Mazzolari、Elisabetta Barocelli、Simona Bertoni、Rosanna Matucci、Marta Nesi、Alessandro Piergentili、Giulio Vistoli

  DOI：10.1016/j.bmcl.2014.06.020

  日期：2014.8

  The methyl group in cis stereochemical relationship with the basic chain of all pentatomic cyclic analogues of ACh is crucial for the agonist activity at mAChR. Among these only cevimeline (1) is employed in the treatment of xerostomia associated with Sjögren’s syndrome. Here we demonstrated that, unlike 1,3-dioxolane derivatives, in the 1,4-dioxane series the methyl group is not essential for the

  与ACh的所有五原子环状类似物的主链成顺式立体化学关系的甲基对于在mAChR处的激动剂活性至关重要。在这些中，只有Cevimeline（1）用于治疗与干燥综合征相关的口干症。在这里，我们证明了与1,3-二氧戊环衍生物不同，在1,4-二氧六环系列中，甲基对于激活mAChR亚型不是必需的。使用人M 2和大鼠M 3受体的晶体结构的对接研究表明，化合物10的1,4-二恶烷核的5-亚甲基与1,3-的甲基具有相同的亲脂性口袋二氧戊环4。
• [EN] MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS MACROCYCLIQUES DE MCL-1 ET MÉTHODES D'UTILISATION
  申请人：ABBVIE INC

  公开号：WO2019035911A1

  公开（公告）日：2019-02-21

  The present disclosure provides for compounds of formula (I), wherein A2, A3, A4, A6, A7, A8, A15, RA, R5, R9, R10A, R10B, R11, R12, R13, R14, R16, W, X, and Y have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions, including cancer. Also provided are pharmaceutical compositions comprising compounds of formula (I).

  本公开提供了式(I)的化合物，其中A2、A3、A4、A6、A7、A8、A15、RA、R5、R9、R10A、R10B、R11、R12、R13、R14、R16、W、X和Y具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗疾病和病况，包括癌症方面是有用的。还提供了包含式(I)化合物的药物组合物。
• SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS
  申请人：SANOFI

  公开号：EP3318563A1

  公开（公告）日：2018-05-09

  Substituted pyrido[3,4-b]indoles and their use as pharmaceuticals The present invention relates to 8-aryl-substituted and 8-heteroaryl-substituted 9H-pyrido[3,4-b]indoles of the formula I, in which A, E, G, R1 to R6 and R10 are as defined in the claims, which stimulate chondrogenesis and cartilage matrix synthesis and can be used in the treatment of cartilage disorders and conditions in which a regeneration of damaged cartilage is desired, for example joint diseases such as osteoarthritis. The invention furthermore relates to processes for the synthesis of the compounds of the formula I, their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及配方I中的8-芳基取代和8-杂环芳基取代的9H-吡啶并[3,4-b]吲哚，其中A、E、G、R1至R6和R10如索引中所定义，可刺激软骨发生和软骨基质合成，并可用于治疗软骨疾病和需要再生受损软骨的情况，例如骨关节炎等关节疾病。此外，该发明还涉及配方I化合物的合成过程，它们作为药物的用途，以及包含它们的药物组合物。
• SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：Chafeev Mikhail

  公开号：US20100137299A1

  公开（公告）日：2010-06-03

  This invention is directed to spiro-oxindole compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment and/or prevention of sodium channel-mediated diseases or conditions, such as pain.

  本发明涉及螺环氧吲哚化合物，包括其立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂化合物或前药，用于治疗和/或预防钠通道介导的疾病或症状，例如疼痛。