N-(5-but-3-enoyl-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-yl)-guanidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(5-but-3-enoyl-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-yl)-guanidine
• 英文别名: n-(5-But-3-enoyl-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridine-2-yl)-guanidine；2-(5-but-3-enoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)guanidine
• 化学式: C₁₁H₁₅N₅OS
• 分子量: 265.339
• InChiKey: SGUKNSYVBNMKLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-yl)guanidine dihydrochloride 、 乙烯基乙酸 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 16.0h， 生成 N-(5-but-3-enoyl-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-yl)-guanidine
  参考文献：
  名称：

  [DE] GUANIDINDERIVATE UND IHRE VERWENDUNG ALS NEUROPEPTID FF REZEPTOR-ANTAGONISTEN
  [EN] GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS
  [FR] DERIVES DE GUANIDINE ET LEUR UTILISATION COMME ANTAGONISTES DES RECEPTEURS DU NEUROPEPTIDE FF

  摘要：

  化合物的结构式（I）中：A表示由3-6个可能被取代的C原子链组成，其中一个可以被-N（R'）-或-O-取代；R'表示氢或取代基；其中环结构仅包含噻唑基团的两个双键；化合物（I）的碱性化合物的药用酸盐，化合物（I）含有酸基团的药用盐与碱的盐，化合物（I）含有羟基或羧基的酯的药用盐以及其水合物或溶剂合物；部分已知部分新颖，并作为神经肽FF受体拮抗剂发挥作用。它们适用于治疗疼痛和过度疼痛，以及酒精、精神药物和尼古丁依赖的戒断症状，以及改善或消除这些依赖，调节胰岛素释放、食物摄入、记忆功能、血压、电解质和能量平衡，以及治疗尿失禁。它们可以按照通常的方法制备并加工成药物。

  公开号：

  WO2004083218A1

文献信息

• Guanidine derivatives and their use as neuropeptide ff receptor antagonists
  申请人：Caroff Eva

  公开号：US20060194788A1

  公开（公告）日：2006-08-31

  The invention relates to guanidine derivatives of formula (I) where: A represents a chain of 3-6 carbon atoms, one of which can be replaced by —N(R′)— or —O— and R′ is H or a substituent; the ring skeleton only contains both double bonds of the thiazole component; the pharmaceutically-acceptable acid addition salts of basic compounds of formula (I), the pharmaceutically-acceptable salts of compounds of formula (I), comprising acid groups, with bases, the pharmaceutically-acceptable esters of hydroxy or carboxyl group containing compounds of formula (I) and the solvates or hydrates thereof, which exhibit a neuropeptide FF receptor antagonist effect. The above are suitable for the treatment of pain and hyperalgesia, withdrawal symptoms in alcohol, psychotropic and nicotine dependencies, for improvement or cure of said dependencies, for regulation of insulin excretion, food intake, memory functions, blood pressure, electrolyte and energy management and for treatment of urinary incontinence. The above can be produced using generally used methods and processed to give medicaments.

  该发明涉及公式（I）的胍衍生物，其中：A表示由3-6个碳原子组成的链，其中一个可以被—N（R′）—或—O—替换，而R′是氢或取代基；环骨架仅包含噻唑酮组分的双键；公认的药用酸加成盐，公认的含酸基化合物的碱盐，公认的含羟基或羧基的公式（I）化合物的酯以及其溶剂或水合物，这些化合物表现出神经肽FF受体拮抗剂作用。上述化合物适用于治疗疼痛和过敏症，酒精、精神药物和尼古丁依赖症的戒断症状，改善或治愈上述依赖症，调节胰岛素分泌、食物摄入、记忆功能、血压、电解质和能量管理以及治疗尿失禁。上述化合物可以使用通常使用的方法制备，并加工成药物。
• Guanidine derivatives and their use as neuropeptide FF receptor antagonists
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US07727979B2

  公开（公告）日：2010-06-01

  The invention relates to guanidine derivatives of formula (I) where: A represents a chain of 3-6 carbon atoms, one of which can be replaced by —N(R′)— or —O— and R′ is H or a substituent; the ring skeleton only contains both double bonds of the thiazole component; the pharmaceutically-acceptable acid addition salts of basic compounds of formula (I), the pharmaceutically-acceptable salts of compounds of formula (I), comprising acid groups, with bases, the pharmaceutically-acceptable esters of hydroxy or carboxyl group containing compounds of formula (I) and the solvates or hydrates thereof, which exhibit a neuropeptide FF receptor antagonist effect. The above are suitable for the treatment of pain and hyperalgesia, withdrawal symptoms in alcohol, psychotropic and nicotine dependencies, for improvement or cure of said dependencies, for regulation of insulin excretion, food intake, memory functions, blood pressure, electrolyte and energy management and for treatment of urinary incontinence. The above can be produced using generally used methods and processed to give medicaments.

  本发明涉及公式（I）的胍衍生物，其中：A代表一个由3-6个碳原子组成的链，其中一个可以被—N（R′）—或—O—所取代，而R′为H或取代基；环骨架仅包含噻唑酮组分的双键；公认为药用的酸加成盐的公式（I）的碱性化合物，公认为药用的含酸基的公式（I）的化合物与碱的盐，公认为药用的含羟基或羧基的公式（I）的酯以及其溶剂化合物或水合物，其表现出神经肽FF受体拮抗剂的效果。上述化合物适用于治疗疼痛和高敏感性、酒精、精神药物和尼古丁依赖的戒断症状，用于改善或治愈上述依赖症状，用于调节胰岛素分泌、食物摄入、记忆功能、血压、电解质和能量管理以及治疗尿失禁。上述化合物可以使用通常使用的方法制备，并加工成药物。
• COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS
  申请人：Chow Suk Hen

  公开号：US20150246140A1

  公开（公告）日：2015-09-03

  In some aspects, the invention relates to methods of treating conditions associated with sleep disorders, comprising administering an agent that modulates the activity of a neuropeptide receptor or a neuropeptide receptor ligand. In some aspects, the invention relates to methods of screening agents that modulate the activity of a neuropeptide receptor in an organism, optionally using cells or organisms comprising a genetic modification that affects a neuropeptide signaling pathway. In some aspects, the invention relates to methods of characterizing a condition associated with a sleep disorder comprising sequencing a nucleic acid encoding either a neuropeptide receptor or a neuropeptide receptor ligand and comparing the sequence with a reference sequence.
• US7727979B2
  申请人：——

  公开号：US7727979B2

  公开（公告）日：2010-06-01
• [EN] COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS<br/>[FR] COMPOSITIONS ET PROCÉDÉS DESTINÉS À MODULER LE SOMMEIL ET L'ÉTAT DE VEILLE
  申请人：CALIFORNIA INST OF TECHN

  公开号：WO2015120446A1

  公开（公告）日：2015-08-13

  In some aspects, the invention relates to methods of treating conditions associated with sleep disorders, comprising administering an agent that modulates the activity of a neuropeptide receptor or a neuropeptide receptor ligand. In some aspects, the invention relates to methods of screening agents that modulate the activity of a neuropeptide receptor in an organism, optionally using ceils or organisms comprising a genetic modification that affects a neuropeptide signaling pathway. In some aspects, the invention relates to methods of characterizing a condition associated with a sleep disorder comprising sequencing a nucleic acid encoding either a neuropeptide receptor or a neuropeptide receptor ligand and comparing the sequence with a reference sequence.