tert-butyl 3-chloro-5-methyl-4-(methylsulfonamido)-benzylcarbamate | 911143-64-1

• 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: tert-butyl 3-chloro-5-methyl-4-(methylsulfonamido)-benzylcarbamate
• 英文别名: (3-Chloro-4-methanesulfonylamino-5-methyl-benzyl)-carbamic acid t-butyl ester；tert-butyl N-[[3-chloro-4-(methanesulfonamido)-5-methylphenyl]methyl]carbamate
• CAS: 911143-64-1
• 化学式: C₁₄H₂₁ClN₂O₄S
• 分子量: 348.851
• InChiKey: DLTWKKSUDYVAFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-chloro-5-methyl-4-(methylsulfonamido)-benzylcarbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以to yield syrup (159.6 mg, 100%)的产率得到N-(4-aminomethyl-2-chloro-6-methyl-phenyl)-methanesulfonamide
  参考文献：
  名称：

  Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same

  摘要：

  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、神经病变、神经损伤、皮肤疾病、膀胱过敏、肠易激综合征、排便紧急、呼吸道疾病、皮肤、眼或粘膜刺激、胃十二指肠溃疡、炎症性疾病、耳病和心脏疾病。

  公开号：

  US07960584B2
• 作为产物：
  描述：

  4-(N-Boc-aminomethyl)-2-chloro-6-methylbenzenamine 、 甲基磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl 3-chloro-5-methyl-4-(methylsulfonamido)-benzylcarbamate
  参考文献：
  名称：

  Synthesis and structural optimization of multiple H-bonding region of diarylalkyl (thio)amides as novel TRPV1 antagonists

  摘要：

  Structural optimization of multiple H-bonding region and structure-activity relationship of diarylalkyl amides/thioamides as novel TRPV1 antagonists are described. In particular, we identified amide 34o and thioamides 35o and 35r, of which antagonistic activities were highly enhanced by an incorporation of cyano or vinyl-substituent to the multiple H-bonding region. They exhibited potent Ca-45(2+) uptake inhibitions in rat DRG neuron with IC(50)s of 25, 32 and 28 nM, respectively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.10.043

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：Suh Young-Ger

  公开号：US20080234383A1

  公开（公告）日：2008-09-25

  This present invention relates to novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor (Vanilloid Receotor 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, and heart disease.

  本发明涉及新颖化合物，其异构体或其药学上可接受的盐作为辣椒素受体（辣椒素受体1；VR1；TRPV1）拮抗剂；以及含有其药物组合物。本发明提供了一种用于预防或治疗疼痛、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、眼或粘膜刺激、胃十二指肠溃疡、炎症性疾病、耳病和心脏病等疾病的药物组合物。
• US7960584B2
  申请人：——

  公开号：US7960584B2

  公开（公告）日：2011-06-14
• Synthesis and structural optimization of multiple H-bonding region of diarylalkyl (thio)amides as novel TRPV1 antagonists
  作者：Fu-Nan Li、Nam-Jung Kim、Dong-Jo Chang、Jaebong Jang、Hannah Jang、Jong-Wha Jung、Kyung-Hoon Min、Yeon-Su Jeong、Sun-Young Kim、Young-Ho Park

  DOI：10.1016/j.bmc.2009.10.043

  日期：2009.12.15

  Structural optimization of multiple H-bonding region and structure-activity relationship of diarylalkyl amides/thioamides as novel TRPV1 antagonists are described. In particular, we identified amide 34o and thioamides 35o and 35r, of which antagonistic activities were highly enhanced by an incorporation of cyano or vinyl-substituent to the multiple H-bonding region. They exhibited potent Ca-45(2+) uptake inhibitions in rat DRG neuron with IC(50)s of 25, 32 and 28 nM, respectively. (C) 2009 Elsevier Ltd. All rights reserved.
• 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：US07960584B2

  公开（公告）日：2011-06-14

  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, and heart disease.

  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、神经病变、神经损伤、皮肤疾病、膀胱过敏、肠易激综合征、排便紧急、呼吸道疾病、皮肤、眼或粘膜刺激、胃十二指肠溃疡、炎症性疾病、耳病和心脏疾病。