6-(N-methyl-1,2,5,6-tetrahydropyridin-4-yl)-1-(2-thiazolyl)-indole | 321744-97-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-(N-methyl-1,2,5,6-tetrahydropyridin-4-yl)-1-(2-thiazolyl)-indole
• 英文别名: 2-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-1,3-thiazole
• CAS: 321744-97-2
• 化学式: C₁₇H₁₇N₃S
• 分子量: 295.408
• InChiKey: JMXDMTYQENQHBW-UHFFFAOYSA-N

物化性质

• 沸点：
  491.1±55.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  49.3
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• [EN] RETROVIRAL PROTEASE INHIBITING COMPOUNDS<br/>[FR] COMPOSES INHIBITEURS DE PROTEASES RETROVIRALES
  申请人：ABBOTT LABORATORIES

  公开号：WO1997021683A1

  公开（公告）日：1997-06-19

  (EN) Inhibitors of HIV protease are provided. When bound to HIV protease, the inhibitors are characterized by a unique three-dimensional conformation and orientation relative to the S1, S1', S2, S2', S3, and S3' subsites of the protease. Pharmaceutical compositions containing the inhibitors and methods of treating HIV infection are also provided.(FR) La présente invention concerne des inhibiteurs de protéases du VIH. Lorsqu'ils sont liés à une protéase du VIH, ces inhibiteurs sont caractérisés par une conformation et une orientation tridimensionnelles uniques par rapport aux sous-sites S1, S1', S2, S2', S3 et S3' de la protéase. L'invention concerne également des compositions pharmaceutiques contenant ces inhibiteurs et des procédés de traitement contre l'infection VIH.

  （中）提供了HIV蛋白酶抑制剂。当与HIV蛋白酶结合时，这些抑制剂具有相对于蛋白酶的S1、S1'、S2、S2'、S3和S3'亚位点的独特三维构象和方向。还提供了含有这些抑制剂的药物组合物和治疗HIV感染的方法。
• Heterocyclic compounds for the treatment of migraine
  申请人：NPS ALLELIX BIOPHARMACEUTICALS, INC.

  公开号：US20040167158A1

  公开（公告）日：2004-08-26

  Described herein are compounds useful in the treatment of migraine, which have the general formula: 1 wherein: W is a CH group or a N atom; Z is N or C-R4; B and D are selected independently from CH and N, with the proviso that at least one of B and D is CH and with the further proviso that one of B and D can represent N only when W and Z are both other than N; A is a group of Formula II, III or IV, such that group A contains at least 1 N atom; NR7 is either —NH— or —N═ is a single or double bond; X is a N atom, a CH group or a C(OH) group when is a single bond; or, when is a double bond, a C atom; Y is an NH, N-alkyl, N-benzyl or CH 2 group; U and V each represent a N atom or a CH group, with the proviso that both cannot be N; a and b are, independently, 0 or 1; c is an integer from 0 to 3; d is an integer from 1 to 3; e is an integer from 1 to 2; f is an integer from 0 to 3; g is an integer from 3 to 6 and h is an integer from 2 to 3; such that the sum of c and d is at least 2 and the sum of e and f is at least 2; R 1 is selected from the group consisting of H, alkyl, alkyloxy, alkanoyl, aminoalkylenyl, alkylaminoalkylenyl, a hydroxyalkylenyl group, an alkyloxyalkylenyl group, a cycloalkyl group, a cycloalkylalkylenyl group, a heterocycloalkyl group, a heterocycloalkylalkylenyl group, an aryl group, a heterocycloaryl group, an amido group, a thioamido group, an arylcarbonyl group and an arylsulfonyl group; R 2 and R 3 are independently selected from the group consisting of H, alkyl, cycloalkyl, alkenyl and optionally-substituted benzyl; or R 2 and R 3 , together with the nitrogen atom to which they are attached, may form a mono- or bi-cyclic group containing up to 10 carbon atoms and which, in addition, may contain a second heteroatom selected from the group consisting of N, S and O, and which may contain one or more substituents selected from the group consisting of alkyl, hydroxy, hydroxymethyl, alkyloxymethyl, amino and substituted amino; R 4 is selected from the group consisting of H, alkyl and cycloalkyl; CR 5 represents a group selected from —CH2—, CH(OH)—, —C(O)—, —CH(alkyl)- and —CH(alkyloxy)-; R6 is selected from the group consisting of H, alkyl, aryl, halogen, hydroxy, alkyloxy, amino, monoalkylamino and di-substitutedalkylamino; and salts and solvates thereof

  本文描述了治疗偏头痛的化合物，其具有以下通式：1其中：W是CH基团或N原子；Z是N或C-R4；B和D独立地选自CH和N，但至少其中之一为CH，并进一步规定当W和Z都不是N时，B和D中的一个可以表示N；A是公式II、III或IV的基团，使得基团A至少包含1个N原子；NR7是—NH—或—N═；is a single or double bond；当is a double bond时，X是C原子；Y是NH、N-烷基、N-苯甲基或CH2基团；U和V分别表示N原子或CH基团，但两者不能同时为N；a和b独立地为0或1；c是0到3之间的整数；d是1到3之间的整数；e是1到2之间的整数；f是0到3之间的整数；g是3到6之间的整数；h是2到3之间的整数；使得c和d的和至少为2，e和f的和至少为2；R1选自H、烷基、烷氧基、烷酰基、氨基烷基亚烷基、烷基氨基烷基亚烷基、羟基烷基亚烷基、烷氧基烷基亚烷基、环烷基、环烷基烷基亚烷基、杂环烷基、杂环烷基烷基亚烷基、芳基、杂环芳基、酰胺基、硫酰胺基、芳基羰基和芳基磺酰基的群；R2和R3独立地选自H、烷基、环烷基、烯基和可选取代苄基的群；或者R2和R3与它们所连接的氮原子一起，可以形成一个含有最多10个碳原子的单环或双环基团，此外，该基团还可以含有从N、S和O组成的第二个杂原子，以及从烷基、羟基、羟甲基、烷氧甲基、氨基和取代氨基的群中选择的一个或多个取代基；R4选自H、烷基和环烷基；CR5表示选自— —、CH(OH)—、—C(O)—、—CH(烷基)-和—CH(烷氧基)-的基团；R6选自H、烷基、芳基、卤素、羟基、烷氧基、氨基、单烷基氨基和二取代烷基氨基的群；以及其盐和溶剂络合物。
• RETROVIRAL PROTEASE INHIBITING COMPOUNDS
  申请人：Abbott Laboratories

  公开号：EP0876353A1

  公开（公告）日：1998-11-11
• INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE
  申请人：NPS Allelix Corp.

  公开号：EP1196380A2

  公开（公告）日：2002-04-17
• US6716837B1
  申请人：——

  公开号：US6716837B1

  公开（公告）日：2004-04-06