3-(chlorosulfonyl)-2-methoxybenzoic acid | 912577-38-9

• 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: 3-(chlorosulfonyl)-2-methoxybenzoic acid
• 英文别名: 3-chlorosulfonyl-2-methoxybenzoic acid
• CAS: 912577-38-9
• 化学式: C₈H₇ClO₅S
• 分子量: 250.66
• InChiKey: LOZARFNPWCWQBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(chlorosulfonyl)-2-methoxybenzoic acid 在 N,N-二甲基甲酰胺 氯化亚砜 作用下， 反应 2.0h， 生成 3-(chlorosulfonyl)-2-methoxybenzoyl chloride
  参考文献：
  名称：

  PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF

  摘要：

  公开号：

  EP1864976B1
• 作为产物：
  描述：

  benzyl 3-(chlorosulfonyl)-2-methoxybenzoate 在 三氟乙酸 作用下， 反应 5.0h， 生成 3-(chlorosulfonyl)-2-methoxybenzoic acid
  参考文献：
  名称：

  PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF

  摘要：

  公开号：

  EP1864976B1

文献信息

• [EN] SULPHAMOYLARYL DERIVATIVES AND USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF LIVER FIBROSIS<br/>[FR] DÉRIVÉS DE SULPHAMOYLARYLE ET LEUR UTILISATION EN TANT QUE MÉDICAMENTS POUR LE TRAITEMENT DE LA FIBROSE HÉPATIQUE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018145620A1

  公开（公告）日：2018-08-16

  Potent 5-HT2B antagonist of Formula (A), including stereochemically isomeric forms, and salts, hydrates, solvates thereof and their use wherein R1 to R4 and Ar have the meaning as defined herein. The present invention also relates to processes for preparing said compounds, pharmaceutical compositions containing them, alone or in combination with other drugs, in fibrosis and/or cirrhosis prevention or therapy.

  强效的Formula（A）的5-HT2B拮抗剂，包括立体化异构形式，以及其盐、水合物、溶剂合物及其用途，其中R1至R4和Ar的含义如本文所定义。本发明还涉及制备所述化合物的方法，含有它们的药物组合物，单独或与其他药物联合在纤维化和/或肝硬化预防或治疗中的用途。
• Propane-1,3-dione derivative or salt thereof
  申请人：Astellas Pharma Inc.

  公开号：US07960562B2

  公开（公告）日：2011-06-14

  It is intended to provide a compound useful as a GnRH receptor antagonist. The inventors further investigated propane-1,3-dione derivatives. As a result, they confirmed that a compound having a benzene ring or a thiophene ring substituted with a group represented by —SO2—R3 in a propane-1,3-dione derivative having 2-(1,3-dihydro-2H-benzimidazol-2-ylidene) has an excellent GnRH receptor antagonistic effect and accomplished the present invention. Because the compound of the present invention has a potent GnRH receptor antagonistic effect, it is useful for the treatment of sex hormone-dependent diseases, particularly GnRH-related diseases. Further, because the compound of the present invention has an excellent metabolic stability in human and few drug interactions, therefore it has preferable characteristics as a pharmaceutical used for the above-mentioned diseases.

  本发明旨在提供一种作为GnRH受体拮抗剂有用的复合物。发明人进一步研究了丙酮酸1,3-二酮衍生物。结果，他们确认，在具有2-(1,3-二氢-2H-苯并咪唑-2-基亚胺基)的丙酮酸1,3-二酮衍生物中，苯环或噻吩环取代为—SO2—R3基团的化合物具有出色的GnRH受体拮抗效果，并完成了本发明。由于本发明化合物具有强效的GnRH受体拮抗作用，因此对于治疗性激素依赖性疾病，特别是GnRH相关疾病非常有用。此外，由于本发明化合物在人体内具有出色的代谢稳定性和少量药物相互作用，因此具有作为上述疾病用药物的优良特性。
• Propane-1,3-Dione Derivative or Salt Thereof
  申请人：Hirano Masaaki

  公开号：US20090181964A1

  公开（公告）日：2009-07-16

  It is intended to provide a compound useful as a GnRH receptor antagonist. The inventors further investigated propane-1,3-dione derivatives. As a result, they confirmed that a compound having a benzene ring or a thiophene ring substituted with a group represented by —SO 2 —R 3 in a propane-1,3-dione derivative having 2-(1,3-dihydro-2H-benzimidazol-2-ylidene) has an excellent GnRH receptor antagonistic effect and accomplished the present invention. Because the compound of the present invention has a potent GnRH receptor antagonistic effect, it is useful for the treatment of sex hormone-dependent diseases, particularly GnRH-related diseases. Further, because the compound of the present invention has an excellent metabolic stability in human and few drug interactions, therefore it has preferable characteristics as a pharmaceutical used for the above-mentioned diseases.

  本发明旨在提供一种作为GnRH受体拮抗剂有用的化合物。发明人进一步研究了丙酮酸1,3-二酮衍生物。结果，他们证实，在2-(1,3-二氢-2H-苯并咪唑-2-基亚胺)具有苯环或噻吩环的衍生物中，取代为—SO2—R3基团的化合物具有出色的GnRH受体拮抗作用，并完成了本发明。由于本发明的化合物具有强效的GnRH受体拮抗作用，因此对于治疗性激素依赖性疾病，特别是GnRH相关疾病非常有用。此外，由于本发明的化合物在人体内具有出色的代谢稳定性和较少的药物相互作用，因此作为用于上述疾病的药物具有良好的特性。
• Sulphamoylaryl derivatives and use thereof as medicaments for the treatment of liver fibrosis
  申请人：Janssen Pharmaceutica NV

  公开号：US10654837B2

  公开（公告）日：2020-05-19

  Potent 5-HT2B antagonist of Formula (A), including stereochemically isomeric forms, and salts, hydrates, solvates thereof and their use wherein R1 to R4 and Ar have the meaning as defined herein. The present invention also relates to processes for preparing said compounds, pharmaceutical compositions containing them, alone or in combination with other drugs, in fibrosis and/or cirrhosis prevention or therapy.

  式(A)的强效5-HT2B拮抗剂，包括立体化学异构体形式，及其盐类、水合物、溶剂及其用途 其中R1至R4和Ar具有本文所定义的含义。本发明还涉及制备上述化合物的工艺、含有上述化合物的药物组合物，单独或与其他药物组合用于纤维化和/或肝硬化的预防或治疗。
• SULPHAMOYLARYL DERIVATIVES AND USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF LIVER FIBROSIS
  申请人：Janssen Pharmaceutica NV

  公开号：US20190345145A1

  公开（公告）日：2019-11-14

  Potent 5-HT2B antagonist of Formula (A), including stereochemically isomeric forms, and salts, hydrates, solvates thereof and their use wherein R1 to R4 and Ar have the meaning as defined herein. The present invention also relates to processes for preparing said compounds, pharmaceutical compositions containing them, alone or in combination with other drugs, in fibrosis and/or cirrhosis prevention or therapy.