NS3694 | 426834-38-0

• 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: NS3694
• 英文别名: Apoptosis Inhibitor II, NS3694；4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
• CAS: 426834-38-0
• 化学式: C₁₅H₁₀ClF₃N₂O₃
• 分子量: 358.704
• InChiKey: GNCZTZCPXFDPLI-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO：22 mg/mL，可溶

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-叠氮基丙胺 、 NS3694 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Compositions and Methods Comprising Carboxylic Acid-Containing Small Molecules

  摘要：

  本文揭示了用于治疗炭疽病、抑制炭疽毒素以及抑制炭疽毒素诱导的细胞毒性的组合物和方法。可以在此披露的方法和组合物中使用含有羧酸的小分子，例如，可以使用硫酸卢卡因和其衍生物。还披露了筛选可用于治疗炭疽病的含有羧酸的小分子的方法。针对炭疽毒素可以降低炭疽孢子的风险。

  公开号：

  US20150087605A1
• 作为产物：
  描述：

  2-氨基-4-氯苯甲酸 、 3-(三氟甲基)异氰酸苯酯 以 四氢呋喃 为溶剂， 以63%的产率得到NS3694
  参考文献：
  名称：

  2-Arylureidobenzoic Acids:  Selective Noncompetitive Antagonists for the Homomeric Kainate Receptor Subtype GluR5

  摘要：

  A series of 2-arylureidobenzoic acids (AUBAs) was prepared by a short and effective synthesis, and the pharmacological activity at glutamate receptors was evaluated in vitro and in vivo. The compounds showed noncompetitive antagonistic activity at the kainate receptor subtype GluR5. The most potent compounds showed more than 50-fold selectivity for GluR5 compared to GluR6 and the AMPA receptor subtypes GluR1-4. The structure-activity relationships for the AUBAs showed distinct structural requirements for the substituents on the two aromatic ring systems. Only para-substituents were tolerated on the benzoic acid moiety (ring A), whereas ring B tolerated a variety of substituents, but with a preference for lipophilic substituents. The most potent compounds had a 4-chloro substituent on ring A and 3-chlorobenzene (6b), 2-naphthalene (8h), or 2-indole (8k) as ring B and had IC50 values of 1.3, 1.2, and 1.2,muM, respectively, in a functional GluR5 assay. Compound 6c (IC50 = 4.8 muM at GluR5) showed activity in the in vivo ATPA rigidity test, indicating that 6c has better pharmacokinetic properties than 8h, which was inactive in this test. The AUBAs are the first example of a series of noncompetitive GluR5-selective antagonists and may prove to be important pharmacological tools and leads in the search for therapeutic glutamatergic agents.

  DOI：

  10.1021/jm030428j

文献信息

• Novel aryl ureido benzoic acid derivatives and their use
  申请人：Valgeirsson Jon

  公开号：US20060069255A1

  公开（公告）日：2006-03-30

  This invention relates to novel aryl ureido benzoic acid derivatives useful as selective and non-competitive antagonists of the ionotropic GluR5 receptor. Due to their biological activity, the aryl ureido derivatives of the invention are considered useful for treating diseases that are responsive to modulation of an aspartate or a glutamate receptor. Moreover the invention provides chemical compounds for use according to the invention, as well as pharmaceutical compositions comprising the chemical compounds, and methods of treating diseases or disorders or conditions responsive to modulation of an aspartate or a glutamate receptor.

  本发明涉及新型芳基脲基苯甲酸衍生物，可用作离子型GluR5受体的选择性和非竞争性拮抗剂。由于它们的生物活性，本发明的芳基脲基衍生物被认为对于治疗对天冬氨酸或谷氨酸受体调节敏感的疾病有用。此外，本发明提供了用于本发明的化学化合物，以及包含该化学化合物的药物组合物和治疗对天冬氨酸或谷氨酸受体调节敏感的疾病、障碍或状况的方法。
• Methods and compositions for restoring homeostatic capacity of a subject
  申请人：Palo Alto Investors

  公开号：US10835134B2

  公开（公告）日：2020-11-17

  Methods of restoring homeostatic capacity of a subject are provided. Aspects of the invention further include compositions, systems and devices for practicing the methods. The methods and compositions described herein find use in a variety of applications. Aspects of certain embodiments of the methods include modulating a subject's autonomic nervous system in a manner sufficient to restore the homeostatic capacity of the subject. Aspects of other embodiments of the invention include administering to the subject an amount of an apoptosis modulator effective to at least partially restore homeostatic function of the neuroendocrine system of the subject.

  本发明提供了恢复受试者体内平衡能力的方法。本发明的各个方面还包括用于实施这些方法的组合物、系统和设备。本文所述的方法和组合物可用于多种应用。本发明方法的某些实施方案包括以足以恢复受试者平衡能力的方式调节受试者的自律神经系统。本发明其他实施方案的方面包括向受试者施用一定量的细胞凋亡调节剂，其有效量至少可部分恢复受试者神经内分泌系统的平衡功能。
• Treatment of diseases characterized by excessive or insufficient cell death
  申请人：——

  公开号：US20040077634A1

  公开（公告）日：2004-04-22

  The invention relates to the use of a compound that modulates the association of caspase-9 to Apaf-1 for the treatment of diseases characterized by excessive or insufficient cell death.

  本发明涉及一种调节 caspase-9 与 Apaf-1 结合的化合物，用于治疗以细胞死亡过多或过少为特征的疾病。
• Compounds for use in disorders associated with mast cell or basophil acitvity
  申请人：Madsen Siim Lars

  公开号：US20050080112A1

  公开（公告）日：2005-04-14

  The present invention relates to the use certain compounds for the treatment, prevention or alleviation of a disorder or disease of a subject, which disorder or disease is responsive to modulation of the mast cell or basophil activity of such a subject.

  本发明涉及使用某些化合物来治疗、预防或减轻受试者的失调或疾病，这种失调或疾病对调节受试者肥大细胞或嗜碱性粒细胞的活性有反应。
• ARYL UREIDO DERIVATIVES AND THEIR MEDICAL USE
  申请人：NEUROSEARCH A/S

  公开号：EP1565429A2

  公开（公告）日：2005-08-24