1-acetylsulfanyl-3,3-dimethyl-butane | 21770-87-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: 1-acetylsulfanyl-3,3-dimethyl-butane
• 英文别名: S-(3,3-dimethylbutyl) ethanethioate
• CAS: 21770-87-6
• 化学式: C₈H₁₆OS
• 分子量: 160.28
• InChiKey: UOWWJBXBBNQQIR-UHFFFAOYSA-N

物化性质

• 沸点：
  196.5±9.0 °C(Predicted)
• 密度：
  0.933±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-acetylsulfanyl-3,3-dimethyl-butane 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 3,3-dimethylbutanethiol
  参考文献：
  名称：

  Peters反应的立体化学（RSO 2 HgX→RHgX）

  摘要：

  在DMF中于100°C进行exo-或内-2-降冰片烷基亚磺酰亚氨基汞氯化物（exo -A或endo -A）的热分解仅产生exo -2-降冰片基氯化亚汞。在类似条件下，赤-3,3-二甲基丁基-1- sulfinatomercuric氯-1,2- d 2倍的产率的11混合物赤-和苏式-3,3-二甲基丁基-1-升汞-1,2- d 2。内-2-氯降冰片烯基汞在反应条件下不被表观，并且内-A从部分分解中回收而未检测到差向异构。这些结果表明产物形成步骤是通过立体化学不稳定的中间体进行的。尽管一些定性实验提供了针对自由基链机制的证据，但尚未建立详细的反应途径。

  DOI：

  10.1016/s0022-328x(00)81415-1

文献信息

• [EN] 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS<br/>[FR] DÉRIVÉS DE 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE ET COMPOSÉS CORRESPONDANTS UTILISÉS EN TANQUE QUE AGONISTES DU RÉCEPTEUR D'HYDROCARBURE ARYLE (AHR) UTILISÉS POUR LE TRAITEMENT DE, P.EX., DE L'ANGIOGENÈSE IMPLIQUÉE OU DE TROUBLES INFLAMMATOIRES
  申请人：IKENA ONCOLOGY INC

  公开号：WO2021127302A1

  公开（公告）日：2021-06-24

  2-(1H-lndole-3-carbonyl)-thiazole-4-carboxamide derivatives and the corresponding imidazole, oxazole and thiophene derivatives and related compounds as aryl hydrocarbon receptor (AHR) agonists for the treatment of angiogenesis implicated disorders, such as e.g. retinopathy, psoriasis, rheumatoid arthritis, obesity and cancer, or inflammatory disorders. The present description discloses the synthesis and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. pages 27 to 32 and 59 to 219; examples 1 to 8; compounds 1-1 to 1-97; tables 1-a, 2 and 3).

  2-(1H-吲哚-3-甲酰基)-噻唑-4-羧酰胺衍生物及相应的咪唑、噁唑和噻吩衍生物以及相关化合物作为芳香烃受体（AHR）激动剂，用于治疗涉及血管生成的疾病，例如视网膜病变、银屑病、类风湿性关节炎、肥胖和癌症，或炎症性疾病。本说明书揭示了示例化合物的合成和表征以及其药理数据（例如第27至32页和59至219页；示例1至8；化合物1-1至1-97；表1-a、2和3）。
• COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY
  申请人：Alper Phillip B.

  公开号：US20110224185A1

  公开（公告）日：2011-09-15

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with the activity of GPR119.

  该发明提供了化合物、包含这些化合物的药物组合物以及使用这些化合物治疗或预防与GPR119活性相关的疾病或疾病的方法。
• Uses of modified cholinesterase and compositions containing them
  申请人：State of Israel Represented by the Prime Minister's Office The Israel Institute for Biological Research

  公开号：EP0651055A2

  公开（公告）日：1995-05-03

  Detoxification of humans who have been exposed to phosphylating agents, and decontamination of a locus containing phosphylating agents (e.g. organophosphorus insecticides or organophosphorus nerve gases), are effected by administration to the humans or applying to the locus, respectively, at least one recombinant cholinesterase mutant so as to form phosphylated cholinesterase mutant, in presence of intrinsic or extrinsic reactivator activity effective to reactivate the mutant by breaking the phosphyl/cholinesterase mutant covalent bond, the phosphylated mutant being more readily reconverted to nonphosphylated mutant, than the corresponding phosphylated non-mutated cholinesterase is reconverted to non-phosphylated non-mutated cholinesterase. Mutation sites in the amino acid sequence of HuAChE, or in equivalent positions in other cholinesterases, are preferably selected from at least one of (a) Ser23, Glu334, His447; (b) Gly122, Tyr133, Glu22, Ser229, Gly448, Glu45; (c) Leu76, Tyr77, Trp86, Tyr117, Tyr119, Gly12, Gly121, Trp236, Phe295, Phe297, Tyr337, Phe338, Trp439, Tyr449; and/or (d) Tyr72, Asp74, Tyr124, Glu285, Trp286, Tyr341. The invention includes use of the (non-phosphylated) mutants for the manufacture of medicaments for detoxification, pharmaceutical formulations for detoxification, compositions for decontamination, and phosphylated and non-phosphylated recombinant cholinesterase mutants, per se.

  对接触过磷化剂的人进行解毒，以及对含有磷化剂（如有机磷杀虫剂或有机磷神经毒气）的场所进行净化，可分别通过对人施用或对场所施用至少一种重组胆碱酯酶突变体来实现。向人体施用至少一种重组胆碱酯酶突变体或向基因座施用至少一种重组胆碱酯酶突变体以形成磷酸化胆碱酯酶突变体，可分别达到解毒和净化含有磷酸化制剂（如有机磷杀虫剂或有机磷神经毒气）的基因座的目的、在存在有效的内在或外在再活化剂活性的情况下，通过破坏磷酸化/胆碱酯酶突变体共价键使突变体再活化，磷酸化突变体比相应的磷酸化非突变胆碱酯酶更容易再转化为非磷酸化非突变胆碱酯酶。HuAChE 氨基酸序列中的突变位点或其他胆碱酯酶中同等位置的突变位点最好选自以下至少一种 (a) Ser23、Glu334、His447；(b) Gly122、Tyr133、Glu22、Ser229、Gly448、Glu45； (c) Leu76、Tyr77、Trp86、Tyr117、Tyr119、Gly12、Gly121、Trp236、Phe295、Phe297、Tyr337、Phe338、Trp439、Tyr449；和/或 (d) Tyr72、Asp74、Tyr124、Glu285、Trp286、Tyr341。本发明包括使用（非磷酸化）突变体制造解毒药物、解毒药物制剂、去污组合物，以及磷酸化和非磷酸化重组胆碱酯酶突变体本身。
• Antimicrobial Polyether and Polyol Compounds
  申请人：Jain Rakesh K.

  公开号：US20120129793A1

  公开（公告）日：2012-05-24

  The present application describes compounds of Formula I and Formula IA and as disclosed herein, that are useful as anti-microbial agents, including as antibacterial, disinfectant, antifungal, germicidal or antiviral agents.
• USE OF HIGH FLUX SCFA-DERIVATIZED MONOSACCHARIDES IN RECOMBINANT GLYCOPROTEIN PRODUCTION
  申请人：The Johns Hopkins University

  公开号：US20150191761A1

  公开（公告）日：2015-07-09

  Methods of glycoprotein production employing monosaccharides capable of producing a global increase in flux through the sialic acid pathway are provided.