4-甲基-3-(吗啉-4-磺酰基)苯甲酸 | 300383-08-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲基-3-(吗啉-4-磺酰基)苯甲酸
• 中文别名: 4-甲基-3-（吗啉-4-磺酰基）-苯甲酸
• 英文名称: 4-methyl-3-(morpholine-4-sulfonyl)-benzoic acid
• 英文别名: 4-methyl-3-morpholin-4-ylsulfonylbenzoic acid
• CAS: 300383-08-8
• 化学式: C₁₂H₁₅NO₅S
• mdl: MFCD00492976
• 分子量: 285.321
• InChiKey: XWGOGAHEPWTCCH-UHFFFAOYSA-N

物化性质

• 沸点：
  518.4±60.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  92.3
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  4-甲基-3-(吗啉-4-磺酰基)苯甲酸 在 ammonium acetate 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-((2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl)sulfonyl)morpholine trifluoroacetate
  参考文献：
  名称：

  [EN] COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS
  [FR] COMPOSÉS ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS, DÉGÉNÉRATIFS ET MÉTABOLIQUES

  摘要：

  提供的是具有公式（X）结构的化合物，或其药学上可接受的盐，包括该化合物的组合物以及使用方法。环A、L1、L2、W、R2A、R2B和R10的描述如本文所述。

  公开号：

  WO2022125989A1
• 作为产物：
  描述：

  吗啉 、 3-(氯磺酰基)-4-甲基苯甲酸 以 乙酸乙酯 为溶剂， 生成 4-甲基-3-(吗啉-4-磺酰基)苯甲酸
  参考文献：
  名称：

  氨磺酰基苯甲酰胺作为新型CB2大麻素受体配体。

  摘要：

  氨磺酰基苯甲酰胺被确定为一系列新的大麻素受体配体。从对大麻素CB（2）受体具有适度亲和力的筛选命中8开始，描述了一种平行合成方法和初始SAR，从而导致化合物27对CB（2）受体的功能选择性为120倍。该化合物在术后疼痛和神经性疼痛的啮齿动物模型中产生了强大的抗痛觉过敏活性，而没有传统的大麻素副作用。

  DOI：

  10.1016/j.bmcl.2008.04.006

文献信息

• Decarboxylative Hydroxylation of Benzoic Acids
  作者：Wanqi Su、Peng Xu、Tobias Ritter

  DOI：10.1002/anie.202108971

  日期：2021.11.2

  Herein, the first decarboxylative hydroxylation reaction to synthesize phenols from benzoic acids is reported. The method overcomes the challenges associated with conventional decarboxylation of benzoic acids and can be applied even for the late-stage functionalization.

  在此，报道了第一个由苯甲酸合成苯酚的脱羧羟基化反应。该方法克服了与传统苯甲酸脱羧相关的挑战，甚至可以应用于后期功能化。
• Sulfamoyl benzamide derivatives and methods of their use
  申请人：Dolle E. Roland

  公开号：US20060079557A1

  公开（公告）日：2006-04-13

  Novel sulfamoyl benzamide compounds, pharmaceutical compositions containing the sulfamoyl benzamide compounds, and methods of their pharmaceutical use are disclosed. In certain embodiments, the sulfamoyl benzamide compounds are agonists and/or modulating ligands of cannabinoid receptors and may be useful, inter alia, for treating and/or preventing pain, gastrointestinal disorders, inflammation, auto-immune diseases, ischemic conditions, immune-related disorders, hypertension, neurological disorders, and neurodegenerative diseases, for providing cardioprotection against ischemic and reperfusion effects, for inducing apoptosis in malignant cells, for inhibiting mechanical hyperalgesia associated with nerve injury, and as an appetite stimulant.

  新型磺胺基苯甲酰胺化合物，含有该磺胺基苯甲酰胺化合物的药物组合物，以及它们的药用方法被披露。在某些实施例中，磺胺基苯甲酰胺化合物是大麻素受体的激动剂和/或调节配体，可能有助于治疗和/或预防疼痛、胃肠道疾病、炎症、自身免疫疾病、缺血症状、免疫相关疾病、高血压、神经系统疾病和神经退行性疾病，提供心脏保护作用抵抗缺血和再灌注效应，诱导恶性细胞凋亡，抑制与神经损伤相关的机械性过敏，以及作为食欲刺激剂。
• BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS
  申请人：Galley Guido

  公开号：US20090036420A1

  公开（公告）日：2009-02-05

  The present invention relates to methods of treating CNS disorders with a compound of formula I wherein X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and R 8 are as defined in the specification and pharmaceutically acceptable acid addition salts thereof.

  本发明涉及使用式I中的化合物治疗中枢神经系统疾病的方法，其中X、R1、R2、R3、R4、R5、R6、R7和R8如说明书中所定义，并且包括药学上可接受的酸盐。
• CB2 selective sulfamoyl benzamides: Optimization of the amide functionality
  作者：Allan J. Goodman、Christopher W. Ajello、Karin Worm、Bertrand Le Bourdonnec、Markku A. Savolainen、Heather O’Hare、Joel A. Cassel、Gabriel J. Stabley、Robert N. DeHaven、Christopher J. LaBuda、Michael Koblish、Patrick J. Little、Bernice L. Brogdon、Steven A. Smith、Roland E. Dolle

  DOI：10.1016/j.bmcl.2008.11.091

  日期：2009.1

  Previous research within our laboratories identified sulfamoyl benzamides as novel cannabinoid receptor ligands. Optimization of the amide linkage led to the reverse amide 40. The compound exhibited robust antiallodynic activity in a rodent pain model when administered intraperitoneally. Efficacy after oral administration was observed only when ABT, a cytochrome P450 suicide inhibitor, was coadministered. (C) 2008 Elsevier Ltd. All rights reserved.
• Benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines as novel Na+/H+ exchanger inhibitors, synthesis and protection against ischemic-reperfusion injury
  作者：Rui Zhang、Lin Lei、Yun-Gen Xu、Wei-Yi Hua、Guo-Qing Gong

  DOI：10.1016/j.bmcl.2007.02.035

  日期：2007.5

  A novel series of benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines were designed and synthesized as Na+/H(+)exchanger inhibitors. Most of them were found to inhibit NHE1-mediated platelet swelling in a concentration-dependent manner, and to have significant cardioprotective effect against myocardial ischemic-reperfusion injury, among which compounds 10a and 34 were more potent than cariporide in both in vivo and in vitro tests. (C) 2007 Elsevier Ltd. All rights reserved.