16,16-dimethyl-12-spiro-2'-(1',3'-dithiolane)-8-aza-D-homogona-1,3,5(10),13-tetraen-17a-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 16,16-dimethyl-12-spiro-2'-(1',3'-dithiolane)-8-aza-D-homogona-1,3,5(10),13-tetraen-17a-one
• 英文别名: LU 5040212；2,3,4,5,6,10b,11,12-octahydro-3,3-dimethyl-spiro[4b-azachrysene-12,2'-[1,3]dithiolan]-1-one；US10584134, Example 1-2；3',3'-dimethylspiro[1,3-dithiolane-2,13'-2,4,6,7,11b,12-hexahydroisoquinolino[2,1-a]quinoline]-1'-one
• 化学式: C₂₁H₂₅NOS₂
• 分子量: 371.568
• InChiKey: QTVLAXQYDPELMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  16,16-dimethyl-12-spiro-2'-(1',3'-dithiolane)-8-aza-D-homogona-1,3,5(10),13-tetraen-17a-one 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以66%的产率得到US10584134, Example 1-8
  参考文献：
  名称：

  USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS

  摘要：

  这项发明涉及一种TRPM8调节剂，用于在皮肤或粘膜上产生降温效果。

  公开号：

  US20120263659A1
• 作为产物：
  描述：

  3,4-二氢异喹啉 在 三氟乙酸 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 144.0h， 生成 16,16-dimethyl-12-spiro-2'-(1',3'-dithiolane)-8-aza-D-homogona-1,3,5(10),13-tetraen-17a-one
  参考文献：
  名称：

  USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS

  摘要：

  这项发明涉及一种TRPM8调节剂，用于在皮肤或粘膜上产生降温效果。

  公开号：

  US20120263659A1

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS
  申请人：BASF SE

  公开号：US20200190052A1

  公开（公告）日：2020-06-18

  The invention relates primarily to a method of modulation, preferably of in vitro and/or in vivo modulation, of the cold menthol receptor TRPM8, wherein the receptor is contacted with at least one modulator selected from the group consisting of the compounds of the structure type 1 described herein. The present invention further relates to corresponding uses and compositions comprising such compounds.

  该发明主要涉及一种调制方法，优选是体外和/或体内调制寒冷薄荷醇受体TRPM8的方法，其中受体与本文描述的结构类型1的化合物群中至少一种调制剂接触。本发明还涉及相关用途和包含这些化合物的组合物。
• LOW MOLECULAR WEIGHT MODULATORS OF THE COLD MENTHOL RECEPTOR TRPM8 AND USE THEREOF
  申请人：BASF SE

  公开号：US20170265510A1

  公开（公告）日：2017-09-21

  The invention relates to new types of modulators of the cold menthol receptor TRPM8, to methods of modulating the TRPM8 receptor using these modulators; and in particular the use of the modulators for inducing a sensation of coldness; and also the articles and compositions produced using these modulators.

  本发明涉及新型的冷薄荷感受受体TRPM8的调制剂，以及利用这些调制剂调节TRPM8受体的方法；特别是利用这些调制剂诱导寒冷感觉的用途；以及利用这些调制剂生产的文章和组合物。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• Compounds useful as modulators of TRPM8
  申请人：Senomyx, Inc.

  公开号：US10392371B2

  公开（公告）日：2019-08-27

  Provided herein are compounds which are useful as cooling sensation compounds.

  本文提供的化合物可用作冷感化合物。