1-<3,4-(methylenedioxy)phenyl>-2-(methylthio)ethane | 77263-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-<3,4-(methylenedioxy)phenyl>-2-(methylthio)ethane
• 英文别名: 5-{2-(methylthio)ethyl}-1,3-benzodioxole；5-(2-methylsulfanylethyl)-1,3-benzodioxole
• CAS: 77263-38-8
• 化学式: C₁₀H₁₂O₂S
• 分子量: 196.27
• InChiKey: VXICFKRSWQYWHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-<3,4-(methylenedioxy)phenyl>-2-(methylthio)ethane 在 sodium carbonate 、 间氯过氧苯甲酸 作用下， 以 氯仿 、 水 为溶剂， 生成 5-(2-(methylsulfonyl)ethyl)benzo[d][1,3]dioxole
  参考文献：
  名称：

  Benzodioxale derivatives

  摘要：

  一种新的苯二氧杂环己烷衍生物在苯环中具有一个羧基烷硫烷基或类似物的取代基，可有效治疗肝病。

  公开号：

  US05110956A1
• 作为产物：
  描述：

  3',4'-(methylenedioxy)-2-(methylsulfinyl)acetophenone 在 三乙基硅烷 、 三甲基氯硅烷 、 三氟乙酸 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 6.0h， 生成 1-<3,4-(methylenedioxy)phenyl>-2-(methylthio)ethane
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of sulfonium analogs of dopamine: nonclassical dopamine agonists

  摘要：

  In order to test whether the nitrogen/ammonium moiety in the dopamine molecule is required for dopaminergic activity, we have synthesized two sulfonium analogues of dopamine and tested them for biological activity in an in vivo and in an in vitro system. These analogues have provided a means of investigating (1) the ability of the sulfonium function to serve as a bioisostere for the dopamine amino group and (2) whether charged molecules have the ability to bind to dopamine receptors. Both sulfonium analogues, 1 and 2, as well as dopamine, when injected directly into the striatum of rats, previously lesioned unilaterally with 6-hydroxydopamine (6-OHDA), produced circling behavior. The potency of the sulfonium analogues was approximately one-tenth that of dopamine. The effects of all three compounds on circling were inhibited by the dopamine antagonist haloperidol. In addition, both sulfonium analogues inhibited the high affinity binding of radiolabeled dopamine to a crude membrane fraction prepared from the striatum. This study suggests that the nitrogen atom found in th dopamine molecule is not essential for dopaminergic activity, since the nitrogen can be replaced by a sulfonium functional group for this activity.

  DOI：

  10.1021/jm00138a008

文献信息

• [EN] COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS<br/>[FR] COMPOSÉS COMPRENANT UN NOYAU À TROIS CYCLES EN TANT QUE BLOQUEURS DE PD-1/PD-L1
  申请人：RELIVE THERAPEUTICS INC

  公开号：WO2021248231A1

  公开（公告）日：2021-12-16

  The present disclosure relates to compounds of Formula (I): (I), wherein R1, R2, L1, L2, Y1, Y2, Y3, X1, Ring A, Ring B and Ring C are as defined herein, as well as to compositions comprising such compounds. The compounds and compositions may be useful for treating diseases and conditions that are amenable to treatment by blocking PD-1, PD-L1 and/or the PD-1/PD-L1 interaction, cancers, sepsis and/or autoimmune diseases.

  本公开涉及式(I)的化合物：(I)，其中R1、R2、L1、L2、Y1、Y2、Y3、X1、环A、环B和环C的定义如本文所述，以及包含这些化合物的组合物。这些化合物和组合物可能用于治疗可通过阻断PD-1、PD-L1和/或PD-1/PD-L1相互作用而治疗的疾病和病况，如癌症、败血症和/或自身免疫疾病。
• Benzodioxole derivatives
  申请人：Eisai Co., Ltd.

  公开号：US05475024A1

  公开（公告）日：1995-12-12

  A new benzodioxole derivative has a substituent in the phenyl ring which is a carboxyalkylthioalkyl or the like and is effective to treat a liver disease.

  一种新的苯并二氧杂环衍生物，在苯环中有一个羧基烷硫基烷或类似物的取代基，可有效治疗肝病。
• ANDERSON K.; KURUVILLA A.; URETSKY N.; MILLER D. D., J. MED. CHEM., 1981, 24, NO 6, 683-687
  作者：ANDERSON K.、 KURUVILLA A.、 URETSKY N.、 MILLER D. D.

  DOI：——

  日期：——
• Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments
  申请人：Eisai Co., Ltd.

  公开号：EP0281098B1

  公开（公告）日：1992-11-25
• US5110956A
  申请人：——

  公开号：US5110956A

  公开（公告）日：1992-05-05