methyl 5-iodo-2-(methylsulfonamido)benzoate | 390360-79-9

• 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: methyl 5-iodo-2-(methylsulfonamido)benzoate
• 英文别名: methyl 5-iodo-2-((methylsulfonyl)amino)benzoate；methyl 5-iodo-2-(methanesulfonamido)benzoate
• CAS: 390360-79-9
• 化学式: C₉H₁₀INO₄S
• 分子量: 355.153
• InChiKey: KTYCNKJALZLWPX-UHFFFAOYSA-N

物化性质

• 沸点：
  430.4±55.0 °C(Predicted)
• 密度：
  1.870±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 5-iodo-2-(methylsulfonamido)benzoate 在 palladium on activated charcoal 吡啶 、 盐酸 、 lithium hydroxide 、 四(三苯基膦)钯 、 草酰氯 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 、 苯 为溶剂， 反应 11.5h， 生成 5-[3-(4-tert-Butyl-benzyl)-thioureidomethyl]-2-methanesulfonylamino-N-methoxy-benzamide
  参考文献：
  名称：

  Novel Potent Antagonists of Transient Receptor Potential Channel, Vanilloid Subfamily Member 1:  Structure−Activity Relationship of 1,3-Diarylalkyl Thioureas Possessing New Vanilloid Equivalents

  摘要：

  Recently, 1,3-diarylalkyl thioureas have merged as one of the promising nonvanilloid TRPV1 antagonists possessing excellent therapeutic potential in pain regulation. In this paper, the full structure-activity relationship for TRPV1 antagonism of a novel series of 1,3-diarylalky thioureas is reported. Exploration of the structure- activity relationship, by systemically modulating three essential pharmacophoric regions, led to six examples of 1,3-dibenzyl thioureas, which exhibit Ca2+ uptake inhibition in rat DRG neuron with IC50 between 10 and 100 nM.

  DOI：

  10.1021/jm0502790
• 作为产物：
  描述：

  甲基磺酰氯 、 2-氨基-5-碘苯甲酸甲酯 在 sodium methylate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以0.58g (46%)的产率得到methyl 5-iodo-2-(methylsulfonamido)benzoate
  参考文献：
  名称：

  Heterocycle carboxamides as antiviral agents

  摘要：

  本发明提供了一种化合物，其化学式为I1，可作为抗病毒药物，特别是用作抗疱疹病毒家族的药物。

  公开号：

  US20020025960A1

文献信息

• [EN] DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS<br/>[FR] INHIBITEURS DE DHODH ET LEUR UTILISATION EN TANT QU'AGENTS ANTIVIRAUX
  申请人：UNIV HAMBURG

  公开号：WO2020225330A1

  公开（公告）日：2020-11-12

  The present invention relates to a compound, or a dimer or a pharmaceutically acceptable salt or solvate of said compound or dimer, for use in a method for the treatment of a disease, disorder or condition caused by an RNA virus, said compound having the general structure shown in Formula (I).

  本发明涉及一种化合物，或者该化合物或二聚体的药学上可接受的盐或溶剂，用于治疗由RNA病毒引起的疾病、紊乱或症状的方法，所述化合物具有如公式(I)所示的一般结构。
• 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same
  申请人：Lee Woo Jee

  公开号：US20060258884A1

  公开（公告）日：2006-11-16

  4-(methylsulfonylamino)phenyl analogues as potent vanilloid receptor antagonists and pharmaceutical compositions comprising the same. The compounds are useful as analgesics to prevent, alleviate or treat pain diseases or inflammatory disease including pain, acute pain, chronic pain, neuropathic pain, post-operative pain, migraine, arthralgia, neuropathies, nerve injury, diabetic neuropathy, neurodegeneration, neurotic skin disorder, stroke, urinary bladder hypersensitiveness, irritable bowel syndrome, a respiratory disorder such as asthma or chronic obstructive pulmonary disease, irritation of skin, eye or mucous membrane, fervescence, stomach-duodenal ulcer, inflammatory bowel disease, inflammatory disease and urgent urinary incontinence.

  4-(甲基磺酰氨基)苯类似物作为有效的vanilloid受体拮抗剂和包含它们的制药组合物。这些化合物可用作镇痛剂，以预防、缓解或治疗疼痛疾病或炎症性疾病，包括疼痛、急性疼痛、慢性疼痛、神经病性疼痛、术后疼痛、偏头痛、关节痛、神经病、神经损伤、糖尿病神经病变、神经退行性疾病、神经性皮肤疾病、中风、膀胱过敏、肠易激综合征、呼吸系统疾病，如哮喘或慢性阻塞性肺病、皮肤、眼睛或黏膜刺激、发热、胃十二指肠溃疡、炎症性肠病、炎症性疾病和紧急的尿失禁。
• 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.
• HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1301493A2

  公开（公告）日：2003-04-16
• US6559145B2
  申请人：——

  公开号：US6559145B2

  公开（公告）日：2003-05-06