tert-butyl 7-(4-(benzyloxy)-6-oxopyridazin-1(6H)-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate | 1173156-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: tert-butyl 7-(4-(benzyloxy)-6-oxopyridazin-1(6H)-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
• 英文别名: tert-butyl 5-methyl-7-(6-oxo-4-phenylmethoxypyridazin-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
• CAS: 1173156-05-2
• 化学式: C₂₈H₃₀N₄O₄
• 分子量: 486.571
• InChiKey: AGFVUHZREJWCIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(苄氧基)哒嗪-3(2H)-酮 、 tert-butyl 7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate 以to provide the title compound (106 mg, 43%) as a solid的产率得到tert-butyl 7-(4-(benzyloxy)-6-oxopyridazin-1(6H)-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
  参考文献：
  名称：

  (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES

  摘要：

  替代吡啶并吡唑类化合物可用于制备用于治疗各种疾病的药物组合物，其对应于式（I），其中R1是H或可选择的取代烷基; R2，R3，R4分别选自H，—O-烷基，—S-烷基，烷基，卤素，—CF3和—CN; G是—CR12R13—NR5—或—NR5—CR12R13; R5;是H，可选择的取代烷基，可选择的取代杂环，—C（═O）—R6，—C（═O）—O—R7或—C（═O）—NR19R20; R6和R7分别是可选择的取代烷基或可选择的取代杂环; R8，R9，R10，R11，R12，R13，R19和R20分别选自H或可选择的取代烷基; R14和R15分别是H或卤素; L是—CH2—O—，—CH2CH2—，—CH═CH—或键; B是芳基或杂芳基或环烷基; 前提是，当L是直接键时，B不能是未取代的杂芳基或单取代氟的杂芳基。

  公开号：

  US20090275590A1

文献信息

• [EN] (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS<br/>[FR] PYRIDOINDOLES (1-AZINONE)-SUBSTITUÉS EN TANT QU'ANTAGONISTES MCH
  申请人：ALBANY MOLECULAR RES INC

  公开号：WO2009089482A1

  公开（公告）日：2009-07-16

  Substituted pyridoindoles for incorporation in pharmaceutical compositions employed in the treatment of various diseases correspond to formula (I) wherein R1 is H or optionally substituted alkyl; R2, R3, R4 are each independently selected from H, -O-alkyl, -S-alkyl, alkyl, halo, -CF3, and -CN; G is -CR12R13-NR5- or -NR5-CR12R13; R5 is H, optionally substituted alkyl, optionally substituted heterocycle, -C(=O)-R6, -C(=O)-O-R7, or -C(=O)-NR19R20; R6 and R7 are each optionally substituted alkyl or optionally substituted heterocycle; R8, R9, R10, R11, R12, R13, R19 and R20 are each independently selected from H or optionally substituted alkyl; R14 and R15 are each independently H or halogen; L is -CH2-O-, -CH2CH2-, -CH=CH- or a bond; and B is aryl or heteroaryl or cycloalkyl; with the proviso that, when L is a direct bond, B cannot be unsubstituted heteroaryl or heteroaryl monosubstituted with fluorine.

  将吡啶吲哚替代物用于制药组合物中，用于治疗各种疾病，对应于式（I），其中R1为H或可选择的取代烷基；R2、R3、R4分别独立选择自H、-O-烷基、-S-烷基、烷基、卤素、-CF3和-CN；G为-CR12R13-NR5-或-NR5-CR12R13；R5为H、可选择的取代烷基、可选择的取代杂环、-C(=O)-R6、-C(=O)-O-R7或-C(=O)-NR19R20；R6和R7分别为可选择的取代烷基或可选择的取代杂环；R8、R9、R10、R11、R12、R13、R19和R20分别独立选择自H或可选择的取代烷基；R14和R15分别独立为H或卤素；L为-CH2-O-、- -、-CH=CH-或一个键；B为芳基或杂芳基或环烷基；但条件是，当L为直接键时，B不能是未取代的杂芳基或单取代氟的杂芳基。
• (1-azinone)-substituted pyridoindoles
  申请人：Guzzo Peter

  公开号：US08716308B2

  公开（公告）日：2014-05-06

  Substituted pyridoindoles for incorporation in pharmaceutical compositions employed in the treatment of various diseases correspond to formula (I) wherein R1 is H or optionally substituted alkyl; R2, R3, R4 are each independently selected from H, —O-alkyl, —S-alkyl, alkyl, halo, —CF3, and —CN; G is —CR12R13—NR5— or —NR5—CR12R13; R5; is H, optionally substituted alkyl, optionally substituted heterocycle, —C(═O)—R6, —C(═O)—O—R7, or —C(═O)—NR19R20; R6 and R7 are each optionally substituted alkyl or optionally substituted heterocycle; R8, R9, R10, R11, R12, R13, R19 and R20 are each independently selected from H or optionally substituted alkyl; R14 and R15 are each independently H or halogen; L is —CH2—O—, —CH2CH2—, —CH═CH— or a bond; and B is aryl or heteroaryl or cycloalkyl; with the proviso that, when L is a direct bond, B cannot be unsubstituted heteroaryl or heteroaryl monosubstituted with fluorine.

  替代吡啶并吡咯类化合物可用于制备用于治疗各种疾病的药物组合物，其化学式为(I)，其中R1为H或可选取代的烷基; R2、R3、R4各自独立地选自H、-O-烷基、-S-烷基、烷基、卤素、-CF3和-CN; G为-CR12R13-NR5-或-NR5-CR12R13; R5为H、可选取代的烷基、可选取代的杂环、-C(═O)-R6、-C(═O)-O-R7或-C(═O)-NR19R20; R6和R7各自为可选取代的烷基或可选取代的杂环; R8、R9、R10、R11、R12、R13、R19和R20各自独立地选自H或可选取代的烷基; R14和R15各自独立地为H或卤素; L为-CH2-O-、- -、-CH═CH-或键; B为芳基、杂芳基或环烷基; 前提是当L为直接键时，B不能是未取代的杂芳基或单取代氟的杂芳基。
• US8716308B2
  申请人：——

  公开号：US8716308B2

  公开（公告）日：2014-05-06
• US9650378B2
  申请人：——

  公开号：US9650378B2

  公开（公告）日：2017-05-16