N-(4, 5-bismethanesulfonyl-2-methylbenzoyl)guanidine, hydrochloride hydrate | 336128-20-2

• 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-(4, 5-bismethanesulfonyl-2-methylbenzoyl)guanidine, hydrochloride hydrate
• 英文别名: N-(4,5-Bismethanesulfonyl-2-methylbenzoyl)guanidine, hydrochloride hydrate；N-carbamimidoyl-2-methyl-4,5-bis(methylsulfonyl)benzamide;hydrate;hydrochloride
• CAS: 336128-20-2
• 化学式: C₁₁H₁₅N₃O₅S₂*ClH*H₂O
• 分子量: 387.865
• InChiKey: CVIBPRTWFCEOJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.19
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4, 5-bismethanesulfonyl-2-methylbenzoyl)guanidine, hydrochloride hydrate 、 N-苯甲酰基-5'-O-[二(4-甲氧基苯基)苯基甲基]-2'-脱氧-胞苷 3'-[甲基 N,N-二异丙基亚磷酰胺] 在 四氮唑 作用下， 以 乙腈 为溶剂， 反应 0.08h， 生成 4-[[2-amino-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoyl]amino]-N-[5-[[5-[[5-(3-hydroxypropylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
  参考文献：
  名称：

  Deprotection of phosphorus in oligonucleotide synthesis

  摘要：

  一种从受保护的磷酸三酯或磷酸硫酯三酯中去除磷保护基的方法，包括将受保护的磷酸或磷酸硫酯三酯与对嗅觉不会造成刺激的硫醇化合物接触。

  公开号：

  US20040024194A1
• 作为产物：
  描述：

  利泊来德 在 盐酸 、 水 作用下， 以97%的产率得到N-(4, 5-bismethanesulfonyl-2-methylbenzoyl)guanidine, hydrochloride hydrate
  参考文献：
  名称：

  Method of producing n-(4,5-bis-methanesulfonyl-2-methyl-benzoyl)-guanidine, the hydrochloride thereof

  摘要：

  本发明涉及一种NHE-1选择性Na+/H+抗转运体抑制剂N-(4,5-双甲磺酰基-2-甲基苯甲酰)胍，盐酸盐水合物以及其制备方法。

  公开号：

  US06673968B1

文献信息

• [EN] CRYSTALLINE MODIFICATIONS OF N-(4,5-BISMETHANESULFONYL-2-METHYLBENZOYL)GUANIDINE HYDROCHLORIDE AND N-(4,5-BISMETHANESULFONYL-2-METHYLBENZOYL)GUANIDINE SALTS<br/>[FR] MODIFICATIONS CRISTALLINES DE CHLORHYDRATE DE N-(4,5-BISMÉTHANESULFONYL-2-MÉTHYLBENZOYL) GUANIDINE ET SELS DE N-(4,5-BISMÉTHANESULFONYL-2-MÉTHYLBENZOYL) GUANIDINE
  申请人：MERCK PATENT GMBH

  公开号：WO2017137147A1

  公开（公告）日：2017-08-17

  The present invention relates to novel crystalline modifications of N-(4,5- bismethanesulfonyl-2-methylbenzoyl)guanidine hydrochloride, novel N-(4,5- bismethanesulfonyl-2-methylbenzoyl)guanidine salts and their crystalline modifications and processes of manufacturing and pharmaceutical formulations thereof.

  本发明涉及N-(4,5-双甲磺酰基-2-甲基苯甲酰)胍盐酸盐的新晶型修改、新的N-(4,5-双甲磺酰基-2-甲基苯甲酰)胍盐及其晶型修改，以及其制造和药物配方的过程。
• Redoxindicators
  申请人：Roche Diagnostics Operations, Inc.

  公开号：US10060907B2

  公开（公告）日：2018-08-28

  The present invention relates to a chemical compound or a salt or solvate thereof being a phenazine-, phenanthridine-, phenanthroline-, quinoline-, quinoxaline-, acridine-isoquinoline-, pyrazine- or pyridine-derivative comprising a conjugated π-system and a π-acceptor group, and to uses thereof. The present invention further relates to a chemistry matrix and to a test element comprising the chemical compound of the present invention. The present invention also relates to a method of determining the amount of an analyte in a test sample, comprising contacting said test sample with a chemical compound, with a chemistry matrix, or with a test element of the invention and estimating the amount of redox equivalents liberated or consumed by the chemical compound, by the chemical compound comprised in said chemistry matrix, or by the chemical compound comprised in said test element, in the presence of said test sample, thereby determining the amount of an analyte in said test sample. Moreover, the present invention relates to a system comprising a test element according to the present invention and a device comprising a sensor for measuring the amount of redox equivalents liberated or consumed.

  本发明涉及一种化合物或其盐或溶液，该化合物或其盐或溶液为酚嗪、菲啶、菲罗啉、喹啉、喹喔啉、吖啶-异喹啉、吡嗪或吡啶衍生物，包含共轭π-系统和π-受体基团，并涉及其用途。本发明还涉及一种化学基质和一种包含本发明化合物的测试元素。本发明还涉及一种确定测试样品中分析物含量的方法，包括将所述测试样品与本发明的化合物、化学基质或测试元件接触，并估算在所述测试样品存在的情况下，所述化合物、所述化学基质中的化合物或所述测试元件中的化合物释放或消耗的氧化还原当量的量，从而确定所述测试样品中分析物的含量。此外，本发明还涉及一种系统，该系统包括一个根据本发明设计的测试元件和一个包含传感器的装置，用于测量释放或消耗的氧化还原当量的量。
• Pharmaceutical composition comprising rimeporide for treating diseases associated with insulin resistance and β-cell dysfunction
  申请人：Merck Patent GmbH

  公开号：US10292949B2

  公开（公告）日：2019-05-21

  The invention relates to a pharmaceutical composition comprising as active ingredient an effective amount of 2-Methyl-4,5-di-(methylsulfonyl)-benzoyl-guanidine, or derivatives thereof, for the prophylaxis and therapy of Type II diabetes mellitus, the Metabolic syndrome, diabetic nephropathy and/or neuropathy. Another object of the invention concerns the use of 2-Methyl-4,5-di-(methylsulfonyl)-benzoyl-guanidine, or derivatives thereof, for the enhancement of insulin sensitivity and the preservation or increase of ß-cell compensation.

  本发明涉及一种药物组合物，其活性成分包括有效量的 2-甲基-4,5-二（甲磺酰基）-苯甲酰基胍或其衍生物，用于预防和治疗 II 型糖尿病、代谢综合征、糖尿病肾病和/或神经病变。本发明的另一个目的是将 2-甲基-4,5-二（甲磺酰基）-苯甲酰基胍或其衍生物用于提高胰岛素敏感性和保护或增加ß细胞代偿。
• Crystalline modifications of N-(4,5-bismethanesulfonyl-2-methylbenzoyl)guanidine hydrochloride and N-(4,5-bismethanesulfonyl-2-methylbenzoyl)guanidine salts
  申请人：MERCK PATENT GMBH

  公开号：US10981864B2

  公开（公告）日：2021-04-20

  The present invention relates to novel crystalline modifications of N-(4,5-bismethanesulfonyl-2-methylbenzoyl)guanidine hydrochloride, novel N-(4,5-bismethanesulfonyl-2-methylbenzoyl)guanidine salts and their crystalline modifications and processes of manufacturing and pharmaceutical formulations thereof.

  本发明涉及 N-(4,5-双甲磺酰基-2-甲基苯甲酰基)胍盐酸盐的新型结晶改性物、新型 N-(4,5-双甲磺酰基-2-甲基苯甲酰基)胍盐及其结晶改性物以及其生产工艺和药物制剂。
• PHARMACEUTICAL COMPOSITION COMPRISING RIMEPORIDE FOR TREATING DISEASES ASSOCIATED WITH INSULIN RESISTANCE AND BETA-CELL DYSFUNCTION
  申请人：Merck Patent GmbH

  公开号：EP2271327A1

  公开（公告）日：2011-01-12