1-methyl-2-(6-methyl-benzo[1,3]dioxol-5-yl)-ethylamine | 246861-21-2

• 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-methyl-2-(6-methyl-benzo[1,3]dioxol-5-yl)-ethylamine
• 英文别名: 1-Methyl-2-(6-methyl-benzo[1,3]dioxol-5-yl)-aethylamin；1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-amine
• CAS: 246861-21-2
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.246
• InChiKey: HCFHWXDIZOAUTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  124-125 °C(Press: 5 Torr)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-2-(6-methyl-benzo[1,3]dioxol-5-yl)-ethylamine 、 [11C]methyl iodide 以 乙腈 为溶剂， 反应 0.33h， 生成 N-(111C)methyl-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-amine
  参考文献：
  名称：

  Solbach, M.; Guendisch, D.; Wuellner, U., Journal of labelled compounds and radiopharmaceuticals, 1997, vol. 40, p. 522 - 524

  摘要：

  DOI：
• 作为产物：
  描述：

  5-allyl-6-methyl-benzo[1,3]dioxole 在 氢氧化钾 、 乙醚 、 硫酸 、 sodium nitrite 、 苯 作用下， 生成 1-methyl-2-(6-methyl-benzo[1,3]dioxol-5-yl)-ethylamine
  参考文献：
  名称：

  Sugasawa; Hino, Pharmaceutical Bulletin, 1954, vol. 2, p. 242,245

  摘要：

  DOI：

文献信息

• Synthesis and Pharmacological Evaluation of Ring-Methylated Derivatives of 3,4-(Methylenedioxy)amphetamine (MDA)
  作者：Matthew A. Parker、Danuta Marona-Lewicka、Deborah Kurrasch、Alexander T. Shulgin、David E. Nichols

  DOI：10.1021/jm9705925

  日期：1998.3.1

  The three isomeric ring-methylated derivatives of the well-known hallucinogen and entactogen MDA (1a) were synthesized and evaluated for pharmacological activity as monoamine-releasing agents and as serotonin agonists. The 2-methyl derivative 2a and the 5-methyl derivative 2b were found to be more potent and more selective than the parent compound in inhibiting [3H]-serotonin accumulation in rat brain

  合成了著名的幻觉原和触觉原MDA（1a）的三种异构环甲基化衍生物，并评估了它们作为单胺释放剂和5-羟色胺激动剂的药理活性。发现2-甲基衍生物2a和5-甲基衍生物2b在抑制大鼠脑突触体制剂中的[3H] -5-羟色胺积聚方面比母体化合物更有效和更具选择性。在训练中可以从盐水中区分5-羟色胺释放剂和致幻剂的大鼠中证实了它们的体内活性。结果表明，化合物2a，b是已知的最有效的5-HT释放化合物，在寻找释放5-羟色胺而不抑制其吸收的抗抑郁药中，有望作为先导化合物使用。
• Methods for treating cancer using GRM8 inhibitors
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US10683352B1

  公开（公告）日：2020-06-16

  The present invention provides methods for treating cancer using mGluR8 inhibitors, such as mGluR8 inhibitory antibodies and small molecules. The invention also features compositions containing mGluR8 inhibitors, methods of diagnosing patients with mGluR8-associated cancer, and methods of predicting the response of cancer in a subject to treatment with mGluR8 inhibitors.

  本发明提供了使用mGluR8抑制剂（如mGluR8抑制抗体和小分子）治疗癌症的方法。本发明还包括含有 mGluR8 抑制剂的组合物、诊断 mGluR8 相关癌症患者的方法以及预测癌症对 mGluR8 抑制剂治疗的反应的方法。
• Methods and compositions for treating cancer using SERCA pump inhibitors
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US11013717B1

  公开（公告）日：2021-05-25

  The present invention provides methods for treating cancer using sarco/endoplasmic reticulum Ca2+-ATPase (SERCA) pump inhibitors, such as SERCA pump inhibitory antibodies, among others. The invention also features compositions containing SERCA pump inhibitors, methods of diagnosing patients with SERCA pump-associated cancer, and methods of predicting the response of cancer in a subject to treatment with SERCA pump inhibitors.

  本发明提供了使用肌浆/内质网Ca2+-ATP酶（SERCA）泵抑制剂（如SERCA泵抑制抗体等）治疗癌症的方法。本发明还包括含有 SERCA 泵抑制剂的组合物、诊断 SERCA 泵相关癌症患者的方法以及预测癌症对 SERCA 泵抑制剂治疗的反应的方法。
• Methods and compositions for treating cancer using serotonin receptor inhibitors
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US11034751B1

  公开（公告）日：2021-06-15

  The present invention provides methods for treating cancer using serotonin receptor inhibitors, such as serotonin receptor inhibitory antibodies, among others. The invention also features compositions containing serotonin receptor inhibitors, methods of diagnosing patients with serotonin receptor-associated cancer, and methods of predicting the response of cancer in a subject to treatment with serotonin receptor inhibitors.

  本发明提供了使用血清素受体抑制剂（如血清素受体抑制抗体等）治疗癌症的方法。本发明还包括含有血清素受体抑制剂的组合物、诊断血清素受体相关癌症患者的方法，以及预测癌症对血清素受体抑制剂治疗的反应的方法。
• Methods and compositions for treating inflammatory or autoimmune diseases or conditions using GRM8 activators
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US11059886B1

  公开（公告）日：2021-07-13

  The present invention provides methods for treating inflammatory or autoimmune disease using mGluR8 activators, such as mGluR8 activating antibodies, among others. The invention also features compositions containing mGluR8 activators, methods of diagnosing patients with mGluR8-associated inflammatory or autoimmune disease, and methods of predicting the response of an inflammatory or autoimmune disease or condition in a subject to treatment with mGluR8 activators.

  本发明提供了使用mGluR8激活剂（如mGluR8激活抗体等）治疗炎症或自身免疫性疾病的方法。本发明还包括含有 mGluR8 激活剂的组合物、诊断 mGluR8 相关炎症或自身免疫性疾病患者的方法，以及预测受试者的炎症或自身免疫性疾病或病症对 mGluR8 激活剂治疗的反应的方法。