N-(4-(aminomethyl)-3-chlorophenyl)methanesulfonamide | 882424-28-4

• 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-(aminomethyl)-3-chlorophenyl)methanesulfonamide
• 英文别名: N-[4-(aminomethyl)-3-chlorophenyl]methanesulfonamide
• CAS: 882424-28-4
• 化学式: C₈H₁₁ClN₂O₂S
• 分子量: 234.707
• InChiKey: SWMFALGCDNAVIP-UHFFFAOYSA-N

物化性质

• 沸点：
  376.2±52.0 °C(Predicted)
• 密度：
  1.450±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(4-(aminomethyl)-3-chlorophenyl)methanesulfonamide 、 4-叔-丁基苄基异硫氰酸酯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-{4-[3-(4-tert-Butyl-benzyl)-thioureidomethyl]-3-chloro-phenyl}-methanesulfonamide
  参考文献：
  名称：

  Analysis of structure–activity relationships for the ‘A-region’ of N-(4-t-butylbenzyl)-N′-[4-(methylsulfonylamino)benzyl]thiourea analogues as TRPV1 antagonists

  摘要：

  The structure-activity relationships for the 'A-region' of N-(4-t-butylbenzyl)-N '-[4-(methylsulfonylamino)benzyl]thio-urea analogues have been investigated as TRPV1 receptor antagonists. The 2-halogen analogues showed enhanced antagonism compared to the prototype antagonist. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.009
• 作为产物：
  描述：

  2-氯-4-氨基苯腈 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 N-(4-(aminomethyl)-3-chlorophenyl)methanesulfonamide
  参考文献：
  名称：

  Discovery of 2-Pyridylpyrimidines as the First Orally Bioavailable GPR39 Agonists

  摘要：

  The identification of highly potent and orally bioavailable GPR39 agonists is reported. Compound 1, found in a phenotypic screening campaign, was transformed into compound 2 with good activity on both the rat and human GPR39 receptor. This compound was further optimized to improve ligand efficiency and pharmacokinetic properties to yield GPR39 agonists for the potential oral treatment of type 2 diabetes. Thus, compound 3 is the first potent GPR39 agonist (EC(50)s <= 1 nM for human and rat receptor) that is orally bioavailable in mice and robustly induced acute GLP-1 levels.

  DOI：

  10.1021/ml500240d
• 作为试剂：
  描述：

  Lithium aluminium hydride 、 碘 、 氮气 、 N-(3-chloro-4-cyanophenyl)methanesulfonamide 在 四氢呋喃 、 二氯甲烷 、 甲醇 、 N-(4-(aminomethyl)-3-chlorophenyl)methanesulfonamide 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以to give the title compound as the HCl salt (4.2 g, 89%)的产率得到N-(4-(aminomethyl)-3-chlorophenyl)methanesulfonamide
  参考文献：
  名称：

  sEH inhibitors and their use

  摘要：

  本发明涉及新型sEH抑制剂及其在sEH酶介导的疾病治疗中的应用。具体而言，本发明涉及(Cis)-N-{[4-氰基-2-(三氟甲基)苯基]甲基}-3-{[4-甲基-6-(甲氨基)-1,3,5-三嗪-2-基]氨基}环己烷羧酰胺；或其药学上可接受的盐，以及N-{[4-氰基-2-(三氟甲基)苯基]甲基}-3-{[4-甲基-6-(甲氨基)-1,3,5-三嗪-2-基]氨基}环己烷羧酰胺；或其药学上可接受的盐。

  公开号：

  US08212032B2

文献信息

• [EN] NOVEL sEH INHIBITORS AND THEIR USE<br/>[FR] NOUVEAUX INHIBITEURS DE SEH ET LEUR UTILISATION
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009049154A1

  公开（公告）日：2009-04-16

  The invention is directed to novel sEH inhibitors and their use in the treatment of diseases mediated by the sEH enzyme. Specifically, the invention is directed to compounds according to Formula I: wherein R1, R2, R5a, R6a, A, B, Y, I, and m are defined below, and to pharmaceutically-acceptable salts thereof. The compounds of the invention are sEH inhibitors and can be used in the treatment of diseases mediated by the sEH enzyme, such as hypertension. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting sEH and treatment of conditions associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  该发明涉及新型sEH抑制剂及其在治疗由sEH酶介导的疾病中的应用。具体而言，该发明涉及符合下式I的化合物：其中R1、R2、R5a、R6a、A、B、Y、I和m如下所定义，以及其药学上可接受的盐。该发明的化合物是sEH抑制剂，可用于治疗由sEH酶介导的疾病，比如高血压。因此，该发明进一步涉及包括该发明的化合物的药物组合物。该发明还进一步涉及使用该发明的化合物或包括该发明的化合物的药物组合物来抑制sEH和治疗与之相关的病症的方法。
• [EN] NOVEL SEH INHIBITORS AND THEIR USE<br/>[FR] NOUVEAUX INHIBITEURS DE SEH ET LEUR UTILISATION
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009049157A1

  公开（公告）日：2009-04-16

  The invention is directed to novel sEH inhibitors and their use in the treatment of diseases mediated by the sEH enzyme. Specifically, the invention is directed to compounds according to Formula I: wherein R1, R2, R4, R5, R6, A, B, Y, Z, n, and m are defined below, and to pharmaceutically-acceptable salts thereof. The compounds of the invention are sEH inhibitors and can be used in the treatment of diseases mediated by the sEH enzyme, such as hypertension. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting sEH and treatment of conditions associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  这项发明涉及新型sEH抑制剂及其在通过sEH酶介导的疾病治疗中的应用。具体来说，该发明涉及符合以下式I的化合物：其中R1、R2、R4、R5、R6、A、B、Y、Z、n和m如下所定义，并其药学上可接受的盐。该发明的化合物是sEH抑制剂，可用于通过sEH酶介导的疾病治疗，如高血压。因此，该发明进一步涉及包含该发明的化合物的药物组合物。该发明还进一步涉及使用该发明的化合物或包含该发明的药物组合物来抑制sEH并治疗与之相关的病症的方法。
• NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME
  申请人：KIM Sun-Young

  公开号：US20080312234A1

  公开（公告）日：2008-12-18

  This present invention relates to novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor (Vanilloid Receptor 1; VR1; TRPV1) antagonist; and a pharmaceutical composition containing the same. The present invention provides a pharmaceutical composition for preventing or treating a disease such as pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane, stomach-duodenal ulcer, inflammatory diseases, ear disease, heart disease and so on.

  本发明涉及一种新型化合物、其异构体或其药学上可接受的盐作为vanilloid受体（Vanilloid Receptor 1；VR1；TRPV1）拮抗剂；以及包含该化合物的药物组合物。本发明提供了一种用于预防或治疗疾病的药物组合物，例如疼痛、偏头痛、关节痛、神经痛、神经病、神经损伤、皮肤疾病、膀胱过敏、肠易激综合症、排便紧迫、呼吸道疾病、皮肤、眼睛或粘膜刺激、胃十二指肠溃疡、炎症性疾病、耳疾病、心脏疾病等。
• NOVEL sEH INHIBITORS AND THEIR USE
  申请人：Ding Yun

  公开号：US20100210655A1

  公开（公告）日：2010-08-19

  The invention is directed to novel sEH inhibitors and their use in the treatment of diseases mediated by the sEH enzyme. Specifically, the invention is directed to compounds according to Formula I: wherein R1, R2, R5a, R6a, A, B, Y, I, and m are defined below, and to pharmaceutically-acceptable salts thereof. The compounds of the invention are sEH inhibitors and can be used in the treatment of diseases mediated by the sEH enzyme, such as hypertension. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting sEH and treatment of conditions associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及一种新型的sEH抑制剂及其在治疗由sEH酶介导的疾病中的应用。具体而言，本发明涉及式I的化合物：其中R1、R2、R5a、R6a、A、B、Y、I和m如下所定义，以及其药学上可接受的盐。本发明的化合物是sEH抑制剂，可用于治疗由sEH酶介导的疾病，如高血压。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制sEH和治疗与之相关的疾病的方法。
• Novel sEH Inhibitors and Their Use
  申请人：DING Yun

  公开号：US20100249137A1

  公开（公告）日：2010-09-30

  The invention is directed to novel sEH inhibitors and their use in the treatment of diseases mediated by the sEH enzyme. Specifically, the invention is directed to (Cis)-N-[4-cyano-2-(trifluoromethyl)phenyl]methyl}-3-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino}cyclohexanecarboxamide; or a pharmaceutically acceptable salt thereof, and N-[4-cyano-2-(trifluoromethyl)phenyl]methyl}-3-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino}cyclohexanecarboxamide; or a pharmaceutically acceptable salt thereof. The compounds of the invention can be used in the treatment of diseases mediated by the sEH enzyme, such as hypertension, asthma, and COPD. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting sEH and treatment of conditions associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及新型sEH抑制剂及其在治疗由sEH酶介导的疾病中的应用。具体而言，本发明涉及(Cis)-N-[4-氰基-2-(三氟甲基)苯基]甲基}-3-[4-甲基-6-(甲基氨基)-1,3,5-三嗪-2-基]氨基}环己烷羧酰胺；或其药学上可接受的盐，以及N-[4-氰基-2-(三氟甲基)苯基]甲基}-3-[4-甲基-6-(甲基氨基)-1,3,5-三嗪-2-基]氨基}环己烷羧酰胺；或其药学上可接受的盐。本发明的化合物可用于治疗由sEH酶介导的疾病，如高血压、哮喘和COPD。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物抑制sEH和治疗与之相关的疾病的方法。