6-(N-methyl-1,2,5,6-tetrahydropyridin-4-yl)-1-(3-pyridyl)-indole | 321744-92-7

• 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-(3-pyridyl)-indole
• 英文别名: 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylindole
• CAS: 321744-92-7
• 化学式: C₁₉H₁₉N₃
• 分子量: 289.38
• InChiKey: VCHUWDUUKOAZBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  21.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• 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—CH2—、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。
• 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
• [EN] HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF MIGRAINE<br/>[FR] COMPOSES HETEROCYCLIQUES DESTINES AU TRAITEMENT DE LA MIGRAINE
  申请人：NPS ALLELIX CORP

  公开号：WO2001005758A2

  公开（公告）日：2001-01-25

  Described herein are compounds useful in the treatment of migraine, which have general formulae (I), (II), (III) and (IV), wherein : W is a CH group or an 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 an 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 CH2 group; U and V each represent an 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; R1 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; R2 and R3 are independently selected from the group consisting of H, alkyl, cycloalkyl, alkenyl and optionally-substituted benzyl; or R2 and R3, 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; R4 is selected from the group consisting of H, alkyl and cycloalkyl; CR5 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-substituted alkylamino; and salts and solvates thereof.