2-ethylsulfanyl-4-methyl-benzoic acid | 99186-32-0

• 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: 2-ethylsulfanyl-4-methyl-benzoic acid
• 英文别名: 2-Aethylmercapto-4-methyl-benzoesaeure；2-Ethylsulfanyl-4-methylbenzoic acid
• CAS: 99186-32-0
• 化学式: C₁₀H₁₂O₂S
• 分子量: 196.27
• InChiKey: BLOFZHYKJJMIJQ-UHFFFAOYSA-N

物化性质

• 熔点：
  170-171 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  325.7±30.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-溴-4-甲基苯甲酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 、 喹啉 作用下， 生成 2-ethylsulfanyl-4-methyl-benzoic acid
  参考文献：
  名称：

  Thioethers from Halogen Compounds and Cuprous Mercaptides. II

  摘要：

  DOI：

  10.1021/ja01527a042

文献信息

• ANTHRANILIC ACID ESTER COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL MICROBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE MICROBICIDE
  申请人：Nihon Nohyaku Co., Ltd.

  公开号：US20180132482A1

  公开（公告）日：2018-05-17

  In crop production in the fields of agriculture, horticulture and the like, the damage caused by diseases etc. is still immense, and diseases resistant to existing microbicides have emerged. Under such circumstances, the development of novel agricultural and horticultural microbicides is desired. The present invention provides an anthranilic acid ester compound represented by the general formula (1): (wherein A 1 , A 3 and A 4 each represent a CH group, A 2 represents a C-haloalkyl group, R 1 represents an alkyl group, R 3 represents a hydrogen atom or an acyl group, R 4 , R 5 and R 7 each represent a hydrogen atom, R 6 represents a haloalkyl group, Z represents an alkyl group, and m represents 0, 1 or 2), or a salt thereof, an agricultural and horticultural microbicide comprising the compound or a salt thereof as an active ingredient, and a method for using the microbicide.

  在农业、园艺等领域的农作物生产中，病害等造成的损害仍然巨大，已经出现了对现有微生物杀菌剂具有抗性的病害。在这种情况下，需要开发新型的农业和园艺微生物杀菌剂。本发明提供了一种由通式（1）表示的芴甲酸酯化合物：（其中，A1、A3和A4分别表示一个CH基团，A2表示一个C-卤代烷基团，R1表示一个烷基团，R3表示一个氢原子或酰基团，R4、R5和R7分别表示一个氢原子，R6表示一个卤代烷基团，Z表示一个烷基团，m表示0、1或2），或其盐，以该化合物或其盐为活性成分的农业和园艺微生物杀菌剂，以及使用该微生物杀菌剂的方法。
• N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS
  申请人：Idorsia Pharmaceuticals Ltd

  公开号：EP3928836A1

  公开（公告）日：2021-12-29

  The present invention relates to derivatives of formula (I) wherein (R1)n, R2, R3, R4a, R4b, R5a, R5b and Ar1 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as modulators of the prostaglandin 2 receptors EP2 and/or EP4.

  本发明涉及式 (I) 的衍生物 其中 (R1)n、R2、R3、R4a、R4b、R5a、R5b 和 Ar1 如说明书所述，涉及它们的制备、它们的药学上可接受的盐，以及它们作为药物的用途、含有一种或多种式 (I) 化合物的药物组合物，特别是它们作为前列腺素 2 受体 EP2 和/或 EP4 的调节剂的用途。
• N-substituted indole derivatives as PGE2 receptor modulators
  申请人：Idorsia Pharmaceuticals Ltd

  公开号：US11241431B2

  公开（公告）日：2022-02-08

  The present invention relates to derivatives of formula (I) wherein (R1)n, R2, R3, R4a, R4b, R5a, R5b and Ar1 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as modulators of the prostaglandin 2 receptors EP2 and/or EP4.

  本发明涉及式 (I) 的衍生物 其中 (R1)n、R2、R3、R4a、R4b、R5a、R5b 和 Ar1 如说明书所述，涉及它们的制备、它们的药学上可接受的盐，以及它们作为药物的用途、含有一种或多种式 (I) 化合物的药物组合物，特别是它们作为前列腺素 2 受体 EP2 和/或 EP4 的调节剂的用途。
• Benzofurane and benzothiophene derivatives as PGE2 receptor modulators
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：US11325899B2

  公开（公告）日：2022-05-10

  The present invention relates to benzofurane and benzothiophene derivatives of formula (I) wherein (R1)n, R2, R3, R4a, R4b, R5a, R5b and Ar1 are as described in the description and their use in the treatment of cancer by modulating an immune response comprising a reactivation of the immune system in the tumor. The invention further relates to novel benzofurane and benzothiophene derivatives of formula (II) and their use as pharmaceuticals, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as modulators of the prostaglandin 2 receptors EP2 and/or EP4.

  本发明涉及式 (I) 的苯并呋喃和苯并噻吩衍生物 其中(R1)n、R2、R3、R4a、R4b、R5a、R5b 和 Ar1 如说明书所述，以及它们通过调节免疫反应（包括重新激活肿瘤中的免疫系统）治疗癌症的用途。本发明进一步涉及式(II)的新型苯并呋喃和苯并噻吩衍生物及其作为药物的用途、它们的制备、它们的药学上可接受的盐及其作为药物的用途、含有一种或多种式(I)化合物的药物组合物，特别是它们作为前列腺素2受体EP2和/或EP4的调节剂的用途。
• PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS
  申请人：Idorsia Pharmaceuticals Ltd

  公开号：EP3625222B1

  公开（公告）日：2021-07-21