2-Chloro-N-methoxy-N-methyl-6-(trifluoromethyl)nicotinamide | 1005171-62-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-Chloro-N-methoxy-N-methyl-6-(trifluoromethyl)nicotinamide
• 英文别名: 2-chloro-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
• CAS: 1005171-62-9
• 化学式: C₉H₈ClF₃N₂O₂
• 分子量: 268.623
• InChiKey: KQCOEHWYYOTOJV-UHFFFAOYSA-N

物化性质

• 沸点：
  349.3±42.0 °C(Predicted)
• 密度：
  1.415±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Chloro-N-methoxy-N-methyl-6-(trifluoromethyl)nicotinamide 在 palladium diacetate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 四氢呋喃 为溶剂， 生成 1-(2-phenylamino-6-trifluoromethyl-pyridin-3-yl)-ethanone
  参考文献：
  名称：

  Discovery of a novel series of 4-quinolone JNK inhibitors

  摘要：

  A novel series of highly selective JNK inhibitors based on the 4-quinolone scaffold was designed and synthesized. Structure based drug design was utilized to guide the compound design as well as improvements in the physicochemical properties of the series. Compound (13c) has an IC50 of 62/170 nM for JNK1/2, excellent kinase selectivity and impressive efficacy in a rodent asthma model. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.10.066
• 作为产物：
  描述：

  N-甲基-N-甲氧基胺盐酸盐 、 2-氯-6-三氟甲基烟酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成 2-Chloro-N-methoxy-N-methyl-6-(trifluoromethyl)nicotinamide
  参考文献：
  名称：

  Discovery of a novel series of 4-quinolone JNK inhibitors

  摘要：

  A novel series of highly selective JNK inhibitors based on the 4-quinolone scaffold was designed and synthesized. Structure based drug design was utilized to guide the compound design as well as improvements in the physicochemical properties of the series. Compound (13c) has an IC50 of 62/170 nM for JNK1/2, excellent kinase selectivity and impressive efficacy in a rodent asthma model. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.10.066

文献信息

• 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。
• Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same
  申请人：Amorepacific Corporation

  公开号：US07858621B2

  公开（公告）日：2010-12-28

  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；以及含有该化合物的制药组合物。本发明提供了一种用于预防或治疗疾病的制药组合物，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、肠易激综合征、大便紧迫、呼吸系统疾病、皮肤、眼睛或黏膜刺激、胃十二指肠溃疡、炎症性疾病、耳病、心脏病等。
• US7858621B2
  申请人：——

  公开号：US7858621B2

  公开（公告）日：2010-12-28
• [EN] NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME<br/>[FR] NOUVEAUX COMPOSÉS, ISOMÈRES DE CEUX-CI, OU SELS ACCEPTABLES SUR LE PLAN PHARMACEUTIQUE DE CEUX-CI UTILISÉS EN TANT QU'ANTAGONISTES DU RÉCEPTEUR VANILLOÏDE, ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：AMOREPACIFIC CORP

  公开号：WO2008013414A1

  公开（公告）日：2008-01-31

  [EN] 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.
  [FR] La présente invention concerne des nouveaux composés, des isomères de ceux-ci ou des sels acceptables sur le plan pharmaceutique de ceux-ci utilisés en tant qu'antagonistes du récepteur vanilloïde (récepteur vanilloïde 1, VR1, TRPV1), ainsi qu'une composition pharmaceutique les contenant. L'invention concerne également une composition pharmaceutique pour la prévention ou le traitement d'une maladie de type douleur, migraine, arthralgie, névralgie, neuropathie, lésion nerveuse, affection cutanée, hypersensibilité de la vessie, syndrome du côlon irritable, défécation impérieuse, trouble respiratoire, irritation de la peau, de l'oeil ou d'une membrane muqueuse, ulcère gastro-duodénal, maladies inflammatoires, maladie de l'oreille, cardiopathie, etc.
• Discovery of a novel series of 4-quinolone JNK inhibitors
  作者：Leyi Gong、Yun-Chou Tan、Genevieve Boice、Sarah Abbot、Kristen McCaleb、Pravin Iyer、Fengrong Zuo、Joseph Dal Porto、Brian Wong、Sue Jin、Alice Chang、Patricia Tran、Gary Hsieh、Linghao Niu、Ada Shao、Deborah Reuter、Christine M. Lukacs、R. Ursula Kammlott、Andreas Kuglstatter、David Goldstein

  DOI：10.1016/j.bmcl.2012.10.066

  日期：2012.12

  A novel series of highly selective JNK inhibitors based on the 4-quinolone scaffold was designed and synthesized. Structure based drug design was utilized to guide the compound design as well as improvements in the physicochemical properties of the series. Compound (13c) has an IC50 of 62/170 nM for JNK1/2, excellent kinase selectivity and impressive efficacy in a rodent asthma model. Published by Elsevier Ltd.