N-(6-chloro-4-methyl-2-quinolinyl)guanidine | 503612-32-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-(6-chloro-4-methyl-2-quinolinyl)guanidine
• 英文别名: 2-(6-Chloro-4-methylquinolin-2-yl)guanidine
• CAS: 503612-32-6
• 化学式: C₁₁H₁₁ClN₄
• 分子量: 234.688
• InChiKey: ZSNUZKGXUCSGJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  77.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,6-二氯-4-甲基喹啉 以 N-(6-ethyl-4-methyl-2-quinolinyl)guanidine 为溶剂， 生成 N-(6-chloro-4-methyl-2-quinolinyl)guanidine
  参考文献：
  名称：

  Compounds for the treatment of pain

  摘要：

  这项发明提供了治疗疼痛、尿失禁和其他由NPFF受体介导的异常的方法，包括向受试者施用在NPFF1受体、NPFF2受体或同时在NPFF1和NPFF2受体上起作用的化学化合物的治疗有效量。

  公开号：

  US20030176314A1

文献信息

• Compounds for the treatment of pain
  申请人：——

  公开号：US20030176314A1

  公开（公告）日：2003-09-18

  This invention provides methods of treating pain, urinary incontinence and other abnormalities mediated by a NPFF receptor, which comprises administering to a subject a therapeutically effective amount of a chemical compound which acts at the NPFF1 receptor, the NPFF2 receptor, or at both the NPFF1 and NPFF2 receptors.

  这项发明提供了治疗疼痛、尿失禁和其他由NPFF受体介导的异常的方法，包括向受试者施用在NPFF1受体、NPFF2受体或同时在NPFF1和NPFF2受体上起作用的化学化合物的治疗有效量。
• Molecules specific for NPFF receptors and uses thereof
  申请人：——

  公开号：US20030144310A1

  公开（公告）日：2003-07-31

  This invention provides a compound having the structure: 1 wherein R1 is straight chained or branched C1-C7 alkyl, hydroxyalkyl, alkoxyalkyl, alkylthioalkyl, monofluoroalkyl or polyfluoroalkyl; straight chained or branched C2-C7 alkenyl or alkynyl; C3-C7 cycloalkyl, monofluorocycloalkyl, or polyfluorocycloalkyl; C5-C7 cycloalkenyl; naphthyl; arylalkyl, heteroarylalkyl, phenyl or heteroaryl, wherein the arylalkyl, heteroarylalkyl, phenyl or heteroaryl is unsubstituted or substituted with one or more of the following substituents: halogen, hydroxy, C1-C6 alkoxy, aryloxy, straight chained or branched C2-C6 alkyl, aryl, heteroaryl, nitro, cyano, C1-C6 alkylthio, substituted or unsubstituted arylalkyl or heteroarylalkyl, —C(═Y)R7, —C(═Y)OR7, —N(R7) 2 , —C(═Y)NR7, —NR7C(═Y)R7 or —N(R7)C(═Y)N(R7) 2 , wherein Y is O or S; wherein R7 is independently H, straight chained or branched C1-C7 alkyl, monofluoroalkyl or polyfluoroalkyl; straight chained or branched C2-C7 alkenyl or alkynyl; C3-C7 cycloalkyl, monofluorocycloalkyl, or polyfluorocycloalkyl; C5-C7 cycloalkenyl; wherein R2 is —(CH 2 ) n —NH—C(═NH)—NH 2 ; —(CH 2 )n—C(═NH)—NH 2 ; —(CH 2 ) n —N(R7) 2 ; or -J; wherein n is an integer between 1 and 6, and wherein J is any of the following structures: 2 wherein each of R3 and R4 is independently H, straight chained or branched C1-C7 alkyl, monofluoroalkyl or polyfluoroalkyl; straight chained or branched C2-C7 alkenyl or alkynyl; C3-C7 cycloalkyl, monofluorocycloalkyl, or polyfluorocycloalkyl; or C5-C7 cycloalkenyl; wherein R5 is —OR8 or —N(R8) 2 ; wherein each R8 is independently H, straight chained or branched C1-C7 alkyl, alkoxyalkyl, alkylthioalkyl, monofluoroalkyl or polyfluoroalkyl; straight chained or branched C2-C7 alkenyl or alkynyl; C3-C7 cycloalkyl, monofluorocycloalkyl, or polyfluorocycloalkyl; C5-C7 cycloalkenyl; wherein R6 is arylalkyl, heteroarylalkyl, aryl or heteroaryl, each optionally substituted with one or more of the following substituents: halogen, hydroxy, C1-C6 alkoxy, aryloxy, straight chained or branched C1-C6 alkyl, aryl, heteroaryl, nitro, cyano, C1-C6 alkylthio, substituted or unsubstituted arylalkyl or heteroarylalkyl, —C(═Y)R7, —C(═Y)OR7, —N(R7) 2 , —C(═Y)NR7, —NR7C(═Y)R7 or —N(R7)C(═Y)N(R7) 2 , or a pharmaceutically acceptable salt thereof. This invention also provides a method of treating a lower urinary tract disorder in a subject in need of such treatment comprising administering to the subject an effective amount of any of the aforementioned compounds.

  本发明提供了一种具有以下结构的化合物：1其中，R1是直链或支链C1-C7烷基，羟基烷基，烷氧基烷基，烷硫基烷基，单氟烷基或多氟烷基；直链或支链C2-C7烯基或炔基；C3-C7环烷基，单氟环烷基或多氟环烷基；C5-C7环烯基；萘基；芳基烷基，杂芳基烷基，苯基或杂芳基，其中芳基烷基，杂芳基烷基，苯基或杂芳基未取代或取代有以下一种或多种取代基：卤素，羟基，C1-C6烷氧基，芳氧基，直链或支链C2-C6烷基，芳基，杂芳基，硝基，氰基，C1-C6烷硫基，取代或未取代的芳基烷基或杂芳基烷基，-C(═Y)R7，-C(═Y)OR7，-N(R7)2，-C(═Y)NR7，-NR7C(═Y)R7或-N(R7)C(═Y)N(R7)2，其中Y是O或S；其中R7独立地是H，直链或支链C1-C7烷基，单氟烷基或多氟烷基；直链或支链C2-C7烯基或炔基；C3-C7环烷基，单氟环烷基或多氟环烷基；C5-C7环烯基；其中R2是-(CH2)n-NH-C(═NH)-NH2；-(CH2)n-C(═NH)-NH2；-(CH2)n-N(R7)2；或-J；其中n是1至6之间的整数，其中J是以下任何一种结构：2其中R3和R4各自独立地是H，直链或支链C1-C7烷基，单氟烷基或多氟烷基；直链或支链C2-C7烯基或炔基；C3-C7环烷基，单氟环烷基或多氟环烷基；或C5-C7环烯基；其中R5是-OR8或-N(R8)2；其中每个R8独立地是H，直链或支链C1-C7烷基，烷氧基烷基，烷硫基烷基，单氟烷基或多氟烷基；直链或支链C2-C7烯基或炔基；C3-C7环烷基，单氟环烷基或多氟环烷基；C5-C7环烯基；其中R6是芳基烷基，杂芳基烷基，芳基或杂芳基，每个可选地取代有以下一种或多种取代基：卤素，羟基，C1-C6烷氧基，芳氧基，直链或支链C1-C6烷基，芳基，杂芳基，硝基，氰基，C1-C6烷硫基，取代或未取代的芳基烷基或杂芳基烷基，-C(═Y)R7，-C(═Y)OR7，-N(R7)2，-C(═Y)NR7，-NR7C(═Y)R7或-N(R7)C(═Y)N(R7)2，或其药学上可接受的盐。本发明还提供了一种治疗需要此类治疗的受体下尿路障碍的主题的有效量的任何上述化合物的方法。
• [EN] COMPOUNDS FOR THE TREATMENT OF PAIN<br/>[FR] COMPOSES UTILES POUR LE TRAITEMENT DE LA DOULEUR
  申请人：SYNAPTIC PHARMA CORP

  公开号：WO2003026657A1

  公开（公告）日：2003-04-03

  This invention provides methods of treating pain, urinary incontinence and other abnormalities mediated by a NPFF receptor, which comprises administering to a subject a therapeutically effective amount of a chemical compound which acts at the NPFF1 receptor, the NPFF2 receptor, or at both the NPFF1 and NPFF2 receptors.
• [EN] MOLECULES SPECIFIC FOR NPFF RECEPTORS AND USES THEREOF<br/>[FR] MOLECULES SPECIFIQUES DES RECEPTEURS NPFF ET UTILISATIONS DE CES DERNIERES
  申请人：SYNAPTIC PHARMA CORP

  公开号：WO2003026575A2

  公开（公告）日：2003-04-03

  The invention is drawn to compounds that contain a sulfonamide moiety and pharmaceutically acceptable salts thereof. The compounds are used in treating lower urinary tract disorders and pain.
• Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors
  申请人：——

  公开号：US20030139431A1

  公开（公告）日：2003-07-24

  This invention provides compounds having the structure: 1 wherein X=CH, C(CH 3 ) or N; each of R 1 , R 2 , R 3 , R 4 and R 5 is independently H, C 1 -C 10 straight chained or branched alkyl, C 2 -C 10 straight chained or branched alkenyl, C 2 -C 10 straight chained or branched alkynyl, C 3 -C 10 cycloalkyl, substituted or unsubstituted aryl, hydroxy, halogenated ether, nitro, amino, halogen, —CN, —C(═Z)R 6 , —C(═Z)OR 6 , —C(═Z)N(R 6 ) 2 , —N(R 6 )—C(═Z)R 6 , —N(R 6 )—C(═Z)N(R 6 ) 2 , —OC(═Z)R 6 , —C(═Z)OR 6 —OR 6 or —SR 6 ; wherein Z is O or S; and wherein R 6 is C 1 -C 10 straight chained or branched alkyl, aryl, (CH 2 ) n Q, C 2 -C 10 alkenyl, C 3 -C 10 cycloalkyl, C 5 -C 10 cycloalkenyl, wherein Q is OR 7 , SR 7 , N(R 7 ) 2 or aryl, wherein R 7 is H, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, wherein R 2 and R 3 and the carbons to which they are attached form a fused aryl, heteroaryl, C 5 -C 10 cyclic alkyl or heterocyclic alkyl ring; or wherein R 3 and R 4 and the carbons to which they are attached form a fused aryl, heteroaryl, cyclic alkyl or heterocyclic alkyl ring; and wherein each alkyl, alkenyl, alkynyl and alkoxy group is optionally substituted with a substituent independently selected from R a , where R a is 1) hydroxy, 2) C 1 -C 10 alkoxy, 3) halogen, 4) nitro, 5) amino, 6) CF 3 , or 7) carboxy, and each cycloalkyl group is optionally substituted with a substituent independently selected from R b , where R b is 1) a group selected from R a , 2) C 1 -C 7 alkyl, 3) C 2 -C 7 alkenyl, 4) C 2 -C 7 alkynyl or 5) cyclic C 1 -C 10 alkyl, and each aryl is optionally substituted with R 1 . This invention also provides methods of treating pain, urge incontinence; as well as methods of preparing the compounds.

  这项发明提供了具有以下结构的化合物：其中 X==CH，C(CH3)或N；R1、R2、R3、R4和R5中的每一个独立地是H、C1-C10直链或支链烷基、C2-C10直链或支链烯基、C2-C10直链或支链炔基、C3-C10环烷基、取代或未取代芳基、羟基、卤代醚、硝基、氨基、卤素、—CN、—C(═Z)R6、—C(═Z)OR6、—C(═Z)N(R6)2、—N(R6)—C(═Z)R6、—N(R6)—C(═Z)N(R6)2、—OC(═Z)R6、—C(═Z)OR6—OR6或—SR6；其中 Z 是 O 或 S；且其中 R6 是 C1-C10直链或支链烷基、芳基、(CH2)nQ、C2-C10烯基、C3-C10环烷基、C5-C10环烯基，其中 Q 是OR7、SR7、N(R7)2或芳基，其中 R7 是H、烷基、烯基、炔基、环烷基、环烯基、芳基，其中 R2、R3和它们连接的碳形成融合芳基、杂芳基、C5-C10环烷基或杂环烷基环；或其中 R3、R4和它们连接的碳形成融合芳基、杂芳基、环烷基或杂环烷基环；以及每个烷基、烯基、炔基和烷氧基组分可以选择性地取代一个从 Ra 中独立选择的取代基，其中 Ra 是 1) 羟基，2) C1-C10烷氧基，3) 卤素，4) 硝基，5) 氨基，6) CF3，或 7) 羧基，每个环烷基组分可以选择性地取代一个从 Rb 中独立选择的取代基，其中 Rb 是 1) 从 Ra 中选择的一组，2) C1-C7烷基，3) C2-C7烯基，4) C2-C7炔基或 5) 环状 C1-C10 烷基，每个芳基可以选择性地取代为 R1。这项发明还提供了治疗疼痛、尿急失禁的方法；以及制备这些化合物的方法。