5-哌啶-1-基-1,3,4-噻二唑-2-胺 | 71125-46-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5-哌啶-1-基-1,3,4-噻二唑-2-胺
• 英文名称: 5-(piperidin-1-yl)-1,3,4-thiadiazol-2-amine
• 英文别名: 5-Piperidin-1-yl-1,3,4-thiadiazol-2-amine
• CAS: 71125-46-7
• 化学式: C₇H₁₂N₄S
• mdl: MFCD08273069
• 分子量: 184.265
• InChiKey: ULKCIZIQEBWQFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  345.0±25.0 °C(Predicted)
• 密度：
  1.317±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  83.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-哌啶-1-基-1,3,4-噻二唑-2-胺 、 丁炔二酸二乙酯 以 乙醇 为溶剂， 以Thus 9.8 g (63.7% of the theoretical yield) of ethyl 2-piperidino-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylate, melting at 125° to 127° C.的产率得到2-Piperidino-7H-1,3,4-thiadiazolo<3,2-a>pyrimidon-7-on-5-carbonsaeureaethylester
  参考文献：
  名称：

  7H-1,3,4-Thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylic compounds

  摘要：

  7H-1,3,4-噻二唑并[3,2-a]-嘧啶-7-酮-5-羧酸的衍生物，在2-位置具有碱性取代基，这些化合物的烷基酯和/或药用可用盐是具有免疫刺激性质的新物质，对于哺乳动物，包括人类的抗感染疗法特别有价值。新产品是通过将2-氨基-5-(碱性取代)-1,3,4-噻二唑与二烷基乙炔二羧酸酯反应，并在所得化合物中分裂酯基团（如果需要）和/或形成药学上可接受的盐来制备的。

  公开号：

  US04281120A1
• 作为产物：
  描述：

  哌啶 、 2-氨基-5-溴-1,3,4-噻二唑 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以895 mg的产率得到5-哌啶-1-基-1,3,4-噻二唑-2-胺
  参考文献：
  名称：

  [EN] 1,3,4-THIADIAZOL-2-YL-BENZAMIDE DERIVATIVES AS INHIBITORSOF THE WNT SIGNALLING PATHWAY
  [FR] DÉRIVÉS DE 1,3,4-THIADIAZOL-2-YL-BENZAMIDE UTILISÉS EN TANT QU'INHIBITEURS DE LA VOIE DE SIGNALISATION WNT

  摘要：

  本发明涉及通用式（I）所述的Wnt信号通路抑制剂，以及制备该类化合物的方法，用于制备该类化合物的有用中间体化合物，包含该类化合物的药物组合物和组合物，以及利用该类化合物制造用于治疗或预防疾病的药物组合物，特别是治疗过度增生疾病的药物组合物，作为唯一药剂或与其他活性成分组合使用。

  公开号：

  WO2016131808A1

文献信息

• Discovery and Optimization of a Novel Series of <i>N</i>-Arylamide Oxadiazoles as Potent, Highly Selective and Orally Bioavailable Cannabinoid Receptor 2 (CB₂) Agonists
  作者：Yuan Cheng、Brian K. Albrecht、James Brown、John L. Buchanan、William H. Buckner、Erin F. DiMauro、Renee Emkey、Robert T. Fremeau、Jean-Christophe Harmange、Beth J. Hoffman、Liyue Huang、Ming Huang、Josie Han Lee、Fen-Fen Lin、Matthew W. Martin、Hung Q. Nguyen、Vinod F. Patel、Susan A. Tomlinson、Ryan D. White、Xiaoyang Xia、Stephen A. Hitchcock

  DOI：10.1021/jm800463f

  日期：2008.8.1

  describe the discovery of a novel class of oxadiazole derivatives from which potent and selective CB2 agonist leads were developed. Initial hit 7 was identified from a cannabinoid target-biased library generated by virtual screening of sample collections using a pharmacophore model in combination with a series of physicochemical filters. 7 was demonstrated to be a selective CB2 agonist (CB2 EC50 = 93

  CB2受体是止痛药和抗炎药的有吸引力的治疗靶标。在本文中，我们描述了发现一类新的恶二唑衍生物的发现，由此开发了有效的和选择性的CB2激动剂。通过使用药效团模型结合一系列物理化学过滤器对样品集合进行虚拟筛选，从大麻靶偏倚的文库中识别出最初的第7个匹配项。7被证明是选择性CB2激动剂（CB2 EC50 = 93 nM，Emax = 98％，CB1 EC50> 10 microM）。但是，该化合物在大鼠中表现出较差的溶解性和相对较高的清除率，导致口服生物利用度低。在本文中，我们报告了有关提高功效，理化性质和溶解度的7条途径的详细SAR研究。
• [EN] COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING<br/>[FR] COMPOSÉS ET COMPOSITIONS UTILISÉS EN TANT QUE MODULATEURS DE LA SIGNALISATION DES TLR
  申请人：NEUROPORE THERAPIES INC

  公开号：WO2022067114A1

  公开（公告）日：2022-03-31

  The present disclosure relates to compounds, pharmaceutical compositions comprising such compounds, and use of such compounds in methods of treatment or in medicaments for treatment of inflammatory diseases and certain neurological disorders that are related to inflammatory signaling processes, including but not limited to misfolded proteins.

  本公开涉及化合物、包含这些化合物的药物组合物，以及在治疗炎症性疾病和与炎症信号传导过程相关的某些神经系统疾病的方法中使用这些化合物或用于治疗的药物。这些神经系统疾病包括但不限于与蛋白质错误折叠有关的疾病。
• [EN] 5'-CARBAMOYL-1,1-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS<br/>[FR] DERIVES DE 5'-CARBAMOYL-1,1-BIPHENYL-4-CARBOXAMIDE ET LEUR UTILISATION COMME INHIBITEURS DE LA KINASE P38
  申请人：GLAXO GROUP LTD

  公开号：WO2003032972A1

  公开（公告）日：2003-04-24

  Compounds of formula (I): wherein when m is 0 to 4 R1 is selected from C1-6alkyl, C3-7cycloalkyl, C2-6alkenyl, -SO2NR4R5, -CONR4R5 and -COOR4; and when m is 2 to 4 R1 is additionally selected from C1-6alkoxy, hydroxy, NR4R5, -NR4SO2R5, -NR4SOR5, -NR4COR5, and -NR4CONR4R5; R2 is selected from hydrogen, C1-6alkyl and -(CH2)n-C3-7cycloalkyl; R3 is the group -CO-NH-(CH2)p-R6; U is selected from methyl and halogen; W is selected from methyl and chlorine; V and Y are each selected independently from hydrogen, methyl and halogen; m is selected from 0, 1, 2, 3 and 4 wherein each carbon atom of the resulting carbon chain may be optionally substituted with one or two groups selected independently from C1-6alkyl; n is selected from 0, 1, 2 and 3; p and r are independently selected from 0, 1 and 2; s is selected from 0, 1 and 2; or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors.

  化合物的式子(I)：其中当m为0到4时，R1从C1-6烷基、C3-7环烷基、C2-6烯基、-SO2NR4R5、-CONR4R5和-COOR4中选择；当m为2到4时，R1还从C1-6烷氧基、羟基、NR4R5、-NR4SO2R5、-NR4SOR5、-NR4COR5和-NR4CONR4R5中选择；R2从氢、C1-6烷基和-(CH2)n-C3-7环烷基中选择；R3是群- CO-NH-(CH2)p-R6; U从甲基和卤素中选择；W从甲基和氯中选择；V和Y各自独立地从氢、甲基和卤素中选择；m从0、1、2、3和4中选择，其中所得碳链的每个碳原子可以选择性地用一个或两个独立选择的C1-6烷基基团取代；n从0、1、2和3中选择；p和r独立地从0、1和2中选择；s从0、1和2中选择；或其药学上可接受的盐或溶剂，以及它们作为药物的用途，特别是作为p38激酶抑制剂。
• 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors
  申请人：——

  公开号：US20040267012A1

  公开（公告）日：2004-12-30

  Compounds of formula (I): wherein when m is 0 to 4 R1 is selected from C1-6alkyl, C3-7cycloalkyl, C2-6alkenyl, —SO2NR4R5, —CONR4R5 and —COOR4; and when m is 2 to 4 R1 is additionally selected from C1-6alkoxy, hydroxy, NR4R5, —NR4SO2R5, —NR4SOR5, —NR4COR5, and —NR4CONR4R5; R2 is selected from hydrogen, C1-6alkyl and —(CH2)n-C3-7cycloalkyl; R3 is the group —CO—NH—(CH2)p-R6; U is selected from methyl and halogen; W is selected from methyl and chlorine; V and Y are each selected independently from hydrogen, methyl and halogen; m is selected from 0, 1, 2, 3 and 4 wherein each carbon atom of the resulting carbon chain may be optionally substituted with one or two groups selected independently from C1-6alkyl; n is selected from 0, 1, 2 and 3; p and r are independently selected from 0, 1 and 2; s is selected from 0, 1 and 2; or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors. 1

  化学式为(I)的化合物：其中当m为0至4时，R1从C1-6烷基，C3-7环烷基，C2-6烯基，—SO2NR4R5，—CONR4R5和—COOR4中选择；当m为2至4时，R1还可从C1-6烷氧基，羟基，NR4R5，—NR4SO2R5，—NR4SOR5，—NR4COR5和—NR4CONR4R5中选择；R2从氢，C1-6烷基和—（CH2）n-C3-7环烷基中选择；R3为—CO—NH—（CH2）p-R6基团；U从甲基和卤素中选择；W从甲基和氯中选择；V和Y各自独立地从氢，甲基和卤素中选择；m从0、1、2、3和4中选择，其中所得碳链的每个碳原子可以选择性地被一个或两个从C1-6烷基中独立选择的基团取代；n从0、1、2和3中选择；p和r独立地从0、1和2中选择；s从0、1和2中选择；或其药学上可接受的盐或溶剂，以及它们作为药物的用途，特别是作为p38激酶抑制剂。
• 5′-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors
  申请人：Glaxo Group Limited

  公开号：US07208629B2

  公开（公告）日：2007-04-24

  Compounds of formula (I): wherein when m is 0 to 4 R1 is selected from C1–6alkyl, C3–7cycloalkyl, C2–6alkenyl, —SO2NR4R5, —CONR4R5 and —COOR4; and when m is 2 to 4 R1 is additionally selected from C1–6alkoxy, hydroxy, NR4R5, —NR4SO2R5, —NR4SOR5, —NR4COR5, and —NR4CONR4R5; R2 is selected from hydrogen, C1–6alkyl and —(CH2)n-C3–7cycloalkyl; R3 is the group —CO—NH—(CH2)p-R6; U is selected from methyl and halogen; W is selected from methyl and chlorine; V and Y are each selected independently from hydrogen, methyl and halogen; m is selected from 0, 1, 2, 3 and 4 wherein each carbon atom of the resulting carbon chain may be optionally substituted with one or two groups selected independently from C1–6alkyl; n is selected from 0, 1, 2 and 3; p and r are independently selected from 0, 1 and 2; s is selected from 0, 1 and 2; or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors

  式（I）的化合物：其中当m为0至4时，R1从C1-6烷基，C3-7环烷基，C2-6烯基，—SO2NR4R5，—CONR4R5和—COOR4中选择；当m为2至4时，R1还从C1-6烷氧基，羟基，NR4R5，—NR4SO2R5，—NR4SOR5，—NR4COR5和—NR4CONR4R5中选择；R2从氢，C1-6烷基和—（CH2）n-C3-7环烷基中选择；R3为—CO—NH—（CH2）p-R6基团；U从甲基和卤素中选择；W从甲基和氯中选择；V和Y各自独立地从氢，甲基和卤素中选择；m从0、1、2、3和4中选择，其中所得碳链的每个碳原子可以选择性地用一个或两个从C1-6烷基中独立选择的基团替换；n从0、1、2和3中选择；p和r各自独立地从0、1和2中选择；s从0、1和2中选择；或其药学上可接受的盐或溶剂，以及它们作为药物的用途，特别是作为p38激酶抑制剂。