N-phenylthiomorpholine-4-carboxamide 1,1-dioxide

• 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: N-phenylthiomorpholine-4-carboxamide 1,1-dioxide
• 英文别名: 1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide
• 化学式: C₁₁H₁₄N₂O₃S
• 分子量: 254.31
• InChiKey: NHAJIHFNEWRVNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-phenylthiomorpholine-4-carboxamide 1,1-dioxide 在 sodium hydride 、 一水合肼 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 N-((5-(2-(2,2-difluoroacetyl)hydrazine-1-carbonyl)pyridin-2-yl)methyl)-N-phenylthiomorpholine-4-carboxamide 1,1-dioxide
  参考文献：
  名称：

  WO2017/23133

  摘要：

  公开号：
• 作为产物：
  描述：

  硫代吗啉-1,1-二氧化物 、 异氰酸苯酯 以 乙醚 为溶剂， 反应 1.0h， 以96.2%的产率得到N-phenylthiomorpholine-4-carboxamide 1,1-dioxide
  参考文献：
  名称：

  WO2017/23133

  摘要：

  公开号：

文献信息

• 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same
  申请人：Chong Kun Dang Pharmaceutical Corp.

  公开号：US10717716B2

  公开（公告）日：2020-07-21

  The present invention relates to novel compounds having histone deacetylase 6 (HDAC6) in-hibitory activity, stereoisomers thereof or pharmaceutically acceptable salts thereof the use thereof for the preparation of therapeutic medicaments, pharmaceutical compositions containing the same, a method for treating diseases using the composition, and methods for preparing the novel compounds. The novel compounds stereoisomers thereof or pharmaceutically acceptable salts thereof according to the present invention have histone deacetylase (HDAC) inhibitory activity and are effective for the prevention or treatment of HDAC6-mediated diseases, including infectious diseases; neoplasms; endocrine, nutritional and metabolic diseases; mental and be-havioral disorders; neurological diseases; diseases of the eye and adnexa; cardiovascular diseases; respiratory diseases; digestive diseases; diseases of the skin and subcutaneous tissue; diseases of the musculoskeletal system and connective tissue; or congenital malformations, deformations and chromosomal abnormalities.

  本发明涉及具有组蛋白去乙酰化酶6(HDAC6)抑制活性的新型化合物、其立体异构体或其药学上可接受的盐，其在制备治疗药物中的用途，含有其的药物组合物，使用该组合物治疗疾病的方法，以及制备该新型化合物的方法。根据本发明的新型化合物立体异构体或其药学上可接受的盐具有组蛋白去乙酰化酶（HDAC）抑制活性，可有效预防或治疗HDAC6介导的疾病，包括感染性疾病、肿瘤、内分泌、营养和代谢性疾病；精神和行为障碍；神经系统疾病；眼睛和附件疾病；心血管疾病；呼吸系统疾病；消化系统疾病；皮肤和皮下组织疾病；肌肉骨骼系统和结缔组织疾病；或先天性畸形、变形和染色体异常。
• 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Chong Kun Dang Pharmaceutical Corp.

  公开号：EP3331864B1

  公开（公告）日：2021-11-03
• [EN] COMPOSITIONS FOR PREVENTING OR TREATING HEART FAILURE (HF)<br/>[FR] COMPOSITIONS POUR PRÉVENIR OU TRAITER UNE INSUFFISANCE CARDIAQUE (IC)
  申请人：[en]CHONG KUN DANG PHARMACEUTICAL CORP.

  公开号：WO2023144737A1

  公开（公告）日：2023-08-03

  The present invention relates to a pharmaceutical composition for preventing or treating heart failure, comprising a compound represented by formula I, optical isomers thereof or pharmaceutically acceptable salts thereof as an active ingredient, a method for preventing or treating heart failure using the compound, a use of the compound for preventing or treating heart failure, and a use of the compound in preparing a medicament for preventing or treating heart failure.
• [EN] COMPOSITIONS FOR PREVENTING OR TREATING IDIOPATHIC PULMONARY FIBROSIS (IPF)<br/>[FR] COMPOSITIONS POUR PRÉVENIR OU TRAITER UNE FIBROSE PULMONAIRE IDIOPATHIQUE (FPI)
  申请人：[en]CHONG KUN DANG PHARMACEUTICAL CORP.

  公开号：WO2023223174A1

  公开（公告）日：2023-11-23

  The present disclosure relates to a pharmaceutical composition for preventing or treating idiopathic pulmonary fibrosis, comprising a compound represented by formula I, optical isomers thereof or pharmaceutically acceptable salts thereof as an effective ingredient, a method for preventing or treating idiopathic pulmonary fibrosis using the compound, a use of the compound for preventing or treating idiopathic pulmonary fibrosis, and a use of the compound in preparing a medicament for preventing or treating idiopathic pulmonary fibrosis.
• WO2017/23133
  申请人：——

  公开号：——

  公开（公告）日：——