(5S)-4-(4-fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-2-(1,2,5-thiadiazol-3-yl)-2-imidazoline | 357926-22-8

• 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: (5S)-4-(4-fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-2-(1,2,5-thiadiazol-3-yl)-2-imidazoline
• 英文别名: 3-[(4S)-5-(4-fluorophenyl)-5-(6-fluoropyridin-3-yl)-4-methyl-1,4-dihydroimidazol-2-yl]-1,2,5-thiadiazole
• CAS: 357926-22-8
• 化学式: C₁₇H₁₃F₂N₅S
• 分子量: 357.387
• InChiKey: AGUSBSWEUMEPIM-YOZOHBORSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (2S)-1-(4-fluorophenyl)-1-(6-fluoro-pyridin-3-yl)-1,2-propanediamine 、 1,2,5-噻唑-3-羧酸 、 N,N'-羰基二咪唑 在 三乙胺 作用下， 以 四氢呋喃 、 乙酸乙酯 、 甲苯 为溶剂， 生成 (5S)-4-(4-fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-2-(1,2,5-thiadiazol-3-yl)-2-imidazoline
  参考文献：
  名称：

  Novel imidazonline compounds

  摘要：

  化合物的一般公式(I)代表的化合物，其中Ar1和Ar2分别为芳香族或杂环芳基；R1为较低的环烷基，-Ar3，或一般公式(a)，(b)或(c)的基团；R2和R3分别为氢、较低的环烷基、较低的烯基，或可选择地取代的较低烷基（但当R2和R3同时为氢时，Ar1、Ar2和R1不同时代表未取代的苯基）。这些化合物可用作治疗各种NPY相关疾病的药物，例如循环系统疾病包括高血压、肾脏疾病、心脏疾病、血管痉挛和动脉硬化；中枢神经系统疾病包括过食、抑郁、焦虑、抽搐、癫痫、痴呆、疼痛、酒精依赖以及因戒断药物而引起的戒断症状；代谢性疾病包括肥胖、糖尿病、激素紊乱、高胆固醇血症和高脂血症；性功能障碍和生殖功能障碍；消化系统疾病包括肠动力失调；呼吸系统疾病；炎症；或青光眼。

  公开号：

  US20030158418A1

文献信息

• Novel imidazoline compounds
  申请人：Sato Nagaaki

  公开号：US20060135559A1

  公开（公告）日：2006-06-22

  Compounds represented by the general formula (I): wherein Ar 1 and Ar 2 are each aryl or heteroaryl; R 1 is lower cycloalkyl, —Ar 3 , or a group of the general formula (a), (b) or (c): and R 2 and R 3 are each hydrogen, lower cycloalkyl, lower alkenyl, or optionally substituted lower alkyl (with the proviso that when R 2 and R 3 are simultaneously hydrogen, Ar 1 , Ar 2 and R 1 do not simultaneously represent unsubstituted phenyl). The compounds are useful as treating agents for various NPY-related diseases, for example, circulatory diseases including hypertension, kidney diseases, cardiac diseases, vasospasm and arteriosclerosis; central nervous system diseases including hyperphagia, depression, anxiety, convulsion, epilepsy, dementia, pain, alcohol dependence, and withdrawal symptoms due to abstinence from drugs; metabolic diseases including obesity, diabetes, hormonal disorders, hypercholesterolemia, and hyperlipidemia; sexual dysfunction and reproductive function disorders; digestive diseases including enterokinetic disorders; respiratory diseases; inflammation; or glaucoma.

  化合物的通式(I)表示为：其中Ar1和Ar2均为芳基或杂环芳基；R1为较低的环烷基，-Ar3，或通式(a)、(b)或(c)的一种基团：而R2和R3均为氢、较低的环烷基、较低的烯基或可选取代的较低烷基（前提是当R2和R3同时为氢时，Ar1、Ar2和R1不同时表示未取代的苯基）。这些化合物可用作治疗各种NPY相关疾病的治疗剂，例如循环系统疾病，包括高血压、肾脏疾病、心脏疾病、血管痉挛和动脉硬化；中枢神经系统疾病，包括过度进食、抑郁症、焦虑症、惊厥、癫痫、痴呆、疼痛、酒精依赖和戒断症状；代谢性疾病，包括肥胖、糖尿病、内分泌失调、高胆固醇血症和高脂血症；性功能障碍和生殖功能障碍；消化系统疾病，包括肠动力失调；呼吸系统疾病；炎症；或青光眼。
• Imidazoline compounds
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07482358B2

  公开（公告）日：2009-01-27

  Compounds represented by the general formula (I): wherein Ar1 and Ar2 are each aryl or heteroaryl; R1 is lower cycloalkyl, —Ar3, or a group of the general formula (a), (b) or (c): and R2 and R3are each hydrogen, lower cycloalkyl, lower alkenyl, or optionally substituted lower alkyl (with the proviso that when R2 and R3 are simultaneously hydrogen, Ar1, Ar2 and R1 do not simultaneously represent unsubstituted phenyl). The compounds are useful as treating agents for various NPY-related diseases, for example, circulatory diseases including hypertension, kidney diseases, cardiac diseases, vasospasm and arteriosclerosis; central nervous system diseases including hyperphagia, depression, anxiety, convulsion, epilepsy, dementia, pain, alcohol dependence, and withdrawal symptoms due to abstinence from drugs; metabolic diseases including obesity, diabetes, hormonal disorders, hypercholesterolemia, and hyperlipidemia; sexual dysfunction and reproductive function disorders; digestive diseases including enterokinetic disorders; respiratory diseases; inflammation; or glaucoma.

  通式（I）所表示的化合物，其中Ar1和Ar2分别为芳基或杂环芳基；R1为低环烷基，-Ar3，或通式（a），（b）或（c）的一般式中的基团：R2和R3分别为氢，低环烷基，低烯基或可选择取代的低烷基（条件是当R2和R3同时为氢时，Ar1，Ar2和R1不同时表示未取代的苯基）。该化合物可用作治疗各种NPY相关疾病的药剂，例如循环系统疾病，包括高血压，肾脏疾病，心脏疾病，血管痉挛和动脉硬化；中枢神经系统疾病，包括暴饮暴食，抑郁症，焦虑症，惊厥，癫痫，痴呆，疼痛，酒精依赖和戒断症状；代谢性疾病，包括肥胖症，糖尿病，激素失调，高胆固醇血症和高脂血症；性功能障碍和生殖功能障碍；消化系统疾病，包括肠动力失调；呼吸系统疾病；炎症；或青光眼。
• Imidazonline compounds
  申请人：Banyu Pharmaceutical, Co., Ltd.

  公开号：US07064142B2

  公开（公告）日：2006-06-20

  Compounds represented by the general formula (I): wherein Ar1 and Ar2 are each aryl or heteroaryl; R1 is lower cycloalkyl, —Ar3, or a group of the general formula (a), (b) or (c): and R2 and R3 are each hydrogen, lower cycloalkyl, lower alkenyl, or optionally substituted lower alkyl (with the proviso that when R2 and R3 are simultaneously hydrogen, Ar1, Ar2 and R1 do not simultaneously represent unsubstituted phenyl). The compounds are useful as treating agents for various NPY-related diseases, for example, circulatory diseases including hypertension, kidney diseases, cardiac diseases, vasospasm and arteriosclerosis; central nervous system diseases including hyperphagia, depression, anxiety, convulsion, epilepsy, dementia, pain, alcohol dependence, and withdrawal symptoms due to abstinence from drugs; metabolic diseases including obesity, diabetes, hormonal disorders, hypercholesterolemia, and hyperlipidemia; sexual dysfunction and reproductive function disorders; digestive diseases including enterokinetic disorders; respiratory diseases; inflammation; or glaucoma.

  化合物的一般式(I)如下：其中Ar1和Ar2分别是芳基或杂环芳基；R1是较低的环烷基，-Ar3，或一般式(a)、(b)或(c)的基团：R2和R3分别是氢、较低的环烷基、较低的烯基或可选地取代的较低烷基（前提是当R2和R3同时为氢时，Ar1、Ar2和R1不同时表示未取代的苯基）。这些化合物可用作治疗各种与NPY相关的疾病的治疗剂，例如循环系统疾病，包括高血压、肾脏疾病、心脏疾病、血管痉挛和动脉硬化；中枢神经系统疾病，包括过度进食、抑郁症、焦虑症、惊厥、癫痫、痴呆、疼痛、酒精依赖和戒断症状；代谢性疾病，包括肥胖症、糖尿病、激素失调、高胆固醇血症和高脂血症；性功能障碍和生殖功能障碍；消化系统疾病，包括肠动力障碍；呼吸系统疾病；炎症或青光眼。
• US7064142B2
  申请人：——

  公开号：US7064142B2

  公开（公告）日：2006-06-20
• US7482358B2
  申请人：——

  公开号：US7482358B2

  公开（公告）日：2009-01-27