7-甲氧基-3-甲基-2,3,4,5-四氢-1H-苯并[d]氮杂卓 | 76208-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 中文名称: 7-甲氧基-3-甲基-2,3,4,5-四氢-1H-苯并[d]氮杂卓
• 英文名称: 7-Methoxy-3-methyl-1,2,4,5-tetrahydro-3H,3-benzazepin
• 英文别名: 7-methoxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine；7-methoxy-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine；7-Methoxy-3-methyl-1,2,4,5-tetrahydro-3H,3-benzazepine；7-Methoxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine；7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
• CAS: 76208-70-3
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: FEVROGSGQBWZHA-UHFFFAOYSA-N

物化性质

• 沸点：
  296.2±40.0 °C(Predicted)
• 密度：
  1.011±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  7-甲氧基-3-甲基-2,3,4,5-四氢-1H-苯并[d]氮杂卓 以 水 、 氢溴酸 为溶剂， 生成 2,3,4,5-Tetrahydro-3-methyl-1H-3-benzazepin-7-ol
  参考文献：
  名称：

  Substituted 1,2,4,5-tetrahydro-3H,3 benzazepines

  摘要：

  通用公式化合物：##STR1##及其药用可接受的盐，其中R为H，较低的烷基，较低的烯基，较低的芳基烯基，环烷基-烷基，丙炔基，较低的芳基烷基，羟基烷基及其酯，杂环，杂环-烷基，烷基-氨基烷基，脱氢肌醇烷基，芳基-烷基-杂环-烷基和烷基-芳基-杂环-烷基；R.sup.1为H，较低的烷基，苯基或苯基较低烷基；R.sup.2为氢或较低的烷基；R.sup.3为氢；较低的烷氧基；羟基的较低烷氧基醚；氨基；较低的烷基；卤素；硝基；羟基；或羟基羧酸酯，可用作镇痛药和麻醉拮抗剂。

  公开号：

  US04210749A1
• 作为产物：
  描述：

  8-Methoxy-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 7-甲氧基-3-甲基-2,3,4,5-四氢-1H-苯并[d]氮杂卓
  参考文献：
  名称：

  Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2

  摘要：

  A series of 6-bicycloaryloxynicotinamides were identified as opioid receptor antagonists at mu, kappa, and delta receptors. Compounds in the 6-(2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide scaffold exhibited potent in vitro functional antagonism at all three receptors. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.025

文献信息

• [EN] ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS<br/>[FR] ANILINOPYRIMIDINES EN TANT QU'INHIBITEURS DE KINASE 1 PROGÉNITRICES HÉMATOPOÏÉTIQUES (HPK1)
  申请人：ARIAD PHARMA INC

  公开号：WO2018102366A1

  公开（公告）日：2018-06-07

  The invention relates to HPK1 inhibitors useful in the treatment of cancers, and other serine-threonine kinase mediated diseases, having the Formula: where A, R1, R2, R3, R4, R5, R6, R16, R17, X1, X2, X3, X4, m, and n are described herein.

  这项发明涉及用于治疗癌症和其他丝氨酸-苏氨酸激酶介导的疾病的HPK1抑制剂，其化学式为：其中A、R1、R2、R3、R4、R5、R6、R16、R17、X1、X2、X3、X4、m和n如本文所述。
• [EN] METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS<br/>[FR] MÉTHODES D'UTILISATION DE PYRIMIDINES EN TANT QU'INHIBITEURS DE LA FERROPORTINE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2021222483A1

  公开（公告）日：2021-11-04

  The subject matter described herein is directed to ferroportin inhibitor compounds of Formula (I) and pharmaceutical salts thereof, methods of preparing the compounds, pharmaceutical compositions comprising the compounds, and methods of administering the compounds for prophylaxis and/or treatment of diseases caused by a lack of hepcidin or iron metabolism disorders, particularly iron overload states, such as thalassemia, sickle cell disease and hemochromatosis, and also kidney injuries.

  本文描述的主题是针对化学式(I)的铁蛋白抑制剂化合物及其药用盐，制备这些化合物的方法，包含这些化合物的药物组合物，以及用于预防和/或治疗由于缺乏肝铁蛋白或铁代谢紊乱引起的疾病的方法，特别是铁超载状态，如地中海贫血、镰状细胞病和血色病，以及肾损伤。
• [EN] 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS<br/>[FR] DERIVES DE 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE UTILISES EN TANT QU'AGENTS ANTIPSYCHOTIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2005016891A1

  公开（公告）日：2005-02-24

  The invention provides compounds of formula (I): wherein A and B represent the groups -(CH2)m- and -(CH2)n- respectively; R1 represents hydrogen or C1-6alkyl; R2 represents hydrogen, halogen, hydroxy, cyano, nitro, hydroxyC1-6alkyl, trifluoromethyl, trifluoromethoxy, C1-6alkyl, C1-6alkoxy, C1-6fluoroalkoxy, -(CH2)pC3-6cycloalkyl, -(CH2)pOC3-6cycloalkyl, -COC1-6alkyl, -SO2C1-6alkyl, -SOC1-6alkyl, -S-C1-6alkyl, -CO2C1-6alkyl, CO2NR5R6, -SO2NR5R6, -(CH2)pNR5R6, -(CH2)pNR5COR6, optionally substituted aryl ring, optionally substituted heteroaryl ring or optionally substituted heterocyclyl ring; R3 represents optionally substituted aryl ring or optionally substituted heteroaryl ring; R4 represents hydrogen, hydroxy, C1-6alkyl, C1-6alkoxy, trifluoromethyl, trifluoromethoxy, halogen, -OSO2CF3, -(CH2)pC3-6cycloalkyl, -(CH2)qOC1-6alkyl or -(CH2)pOC3-6cycloalkyl; R5 and R6 each independently represent hydrogen, C1-6alkyl or, together with the nitrogen or other atoms to which they are attached, form an azacycloalkyl ring or an oxo-substituted azacycloalkyl ring; R7 represents hydrogen or C1-6alkyl; m and n independently represent an integer selected from 1 and 2; p independently represents an integer selected from 0, 1, 2 and 3; q independently represents an integer selected from 1, 2 and 3; or a pharmaceutically acceptable salt or solvate thereof. The compounds of formula (I) are useful in therapy, in particular as antipsychotic agents.

  该发明提供了以下式（I）的化合物：其中A和B分别代表基团-(CH2)m-和-( )n-；R1代表氢或C1-6烷基；R2代表氢、卤素、羟基、氰基、硝基、羟基C1-6烷基、三氟甲基、三氟甲氧基、C1-6烷基、C1-6烷氧基、C1-6氟烷氧基、-( )pC3-6环烷基、-( )pOC3-6环烷基、-COC1-6烷基、-SO2C1-6烷基、-SOC1-6烷基、-S-C1-6烷基、-CO2C1-6烷基、CO2NR5R6、-SO2NR5R6、-( )pNR5R6、-( )pNR5COR6、可选择地取代的芳基环、可选择地取代的杂芳基环或可选择地取代的杂环烷基环；R3代表可选择地取代的芳基环或可选择地取代的杂芳基环；R4代表氢、羟基、C1-6烷基、C1-6烷氧基、三氟甲基、三氟甲氧基、卤素、-OSO2CF3、-( )pC3-6环烷基、-( )qOC1-6烷基或-( )pOC3-6环烷基；R5和R6各自独立地代表氢、C1-6烷基或者与其连接的氮或其他原子一起形成氮杂环烷基环或氧代取代的氮杂环烷基环；R7代表氢或C1-6烷基；m和n独立地代表从1和2中选取的整数；p独立地代表从0、1、2和3中选取的整数；q独立地代表从1、2和3中选取的整数；或其药学上可接受的盐或溶剂。该式（I）的化合物在治疗中很有用，特别是作为抗精神病药物。
• [EN] 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS<br/>[FR] DERIVES DE 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE EN TANT QU'AGENTS ANTIPSYCHOTIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2005051397A1

  公开（公告）日：2005-06-09

  The invention provides one or more chemical entities selected from a compound of formula (I): (I) wherein R1 represents C1-6alkyl, trifluoromethoxy or halo; R2 represents hydrogen, C1-6alkyl or halo; or when R1 and R2 are positioned at the 3- and 4-positions, R1 and R2 together with the carbon atoms to which they are attached may form a 1,4-dioxane ring; and a pharmaceutically acceptable salt and solvate thereof. The compounds of formula (I) and pharmaceutically acceptable salts and solvates thereof are useful in therapy, in particular as antipsychotic agents.

  该发明提供了一种或多种从式(I)的化合物中选择的化学实体：(I)其中R1代表C1-6烷基，三氟甲氧基或卤素；R2代表氢，C1-6烷基或卤素；或者当R1和R2位于3-和4-位置时，R1和R2与它们连接的碳原子一起可以形成1,4-二氧杂环己烷环；以及其药学上可接受的盐和溶剂化物。式(I)的化合物和其药学上可接受的盐和溶剂化物在治疗中特别作为抗精神病药剂是有用的。
• [EN] 7-HETEROARYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS<br/>[FR] DERIVES DE 7-HETEROARYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE EN TANT QU'AGENTS ANTIPSYCHOTIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2005025576A1

  公开（公告）日：2005-03-24

  The invention provides compounds of formula (I): wherein A and B represent the groups -(CH2)m- and -(CH2)n- respectively; R1 represents hydrogen or C1-6alkyl; R2 represents hydrogen, halogen, hydroxy, cyano, nitro, hydroxyC1-6alkyl, trifluoromethyl, trifluoromethoxy, C1-6alkyl, C1-6alkoxy, C1-6fluoroalkoxy, -(CH2)pC3-6cycloalkyl, -(CH2)pOC3-6cycloalkyl, -COC1-6alkyl, -SO2 C1-6alkyl, -SOC1-6alkyl, -S-C1-6alkyl, -CO2C1-6alkyl, -CO2NR3R4, -SO2NR3R4, -(CH2)pNR3R4, -(CH2)pNR3COR4, optionally substituted aryl ring, optionally substituted heteroaryl ring, a fused bicyclic heteroaromatic ring system or optionally substituted heterocyclyl ring; Ar1 represents optionally substituted heteroaryl ring; Ar2 represents optionally substituted aryl ring or optionally substituted heteroaryl ring; Z represents -(CH2)qX- wherein the -(CH2)q- group is attached to Ar2, or -X(CH2)q- wherein X is attached to Ar2, and wherein any of the -CH2- groups may be optionally substituted by one or more C1-6alkyl groups; X represents oxygen, -CH(OR5)-, -NR5- or -CH2- wherein the -CH2- group may be optionally substituted by one or more C1-6alkyl groups; R3 and R4 each independently represent hydrogen, C1-6alkyl or, together with the nitrogen or other atoms to which they are attached, form an azacycloalkyl ring or an oxo-substituted azacycloalkyl ring; R5 represents hydrogen or C1-6alkyl; m and n independently represent an integer selected from 1 and 2; p independently represents an integer selected from 0, 1, 2 and 3; q independently represents an integer selected from 0, 1, 2 and 3; or a pharmaceutically acceptable salt or solvate thereof, with the proviso that when Ar1 is a pyridyl group, and Z is -CH2X- where X is attached to the Ar1 group, X is selected from -CH(OR5)-, -NR5- and -CH2- wherein the -CH2- group may be optionally substituted by one or more C1-6alkyl groups. The compounds of formula (I) are useful in therapy, in particular as antipsychotic agents.

  该发明提供了以下式（I）的化合物：其中A和B分别代表基团-(CH2)m-和-( )n-；R1代表氢或C1-6烷基；R2代表氢、卤素、羟基、氰基、硝基、羟基C1-6烷基、三氟甲基、三氟甲氧基、C1-6烷基、C1-6烷氧基、C1-6氟烷氧基、-( )pC3-6环烷基、-( )pOC3-6环烷基、-COC1-6烷基、-SO2 C1-6烷基、-SOC1-6烷基、-S-C1-6烷基、-CO2C1-6烷基、-CO2NR3R4、-SO2NR3R4、-( )pNR3R4、-( )pNR3COR4、可选择地取代的芳基环、可选择地取代的杂芳基环、融合的双环杂芳基环系统或可选择地取代的杂环烷基环；Ar1代表可选择地取代的杂芳基环；Ar2代表可选择地取代的芳基环或可选择地取代的杂芳基环；Z代表-( )qX-其中-( )q-基团连接到Ar2，或-X( )q-其中X连接到Ar2，并且任何一个- -基团可以可选择地由一个或多个C1-6烷基基团取代；X代表氧、-CH(OR5)-、-NR5-或- -其中- -基团可以可选择地由一个或多个C1-6烷基基团取代；R3和R4各自独立地代表氢、C1-6烷基或者与它们连接的氮或其他原子形成氮杂环烷基环或氧代取代的氮杂环烷基环；R5代表氢或C1-6烷基；m和n独立地代表选自1和2的整数；p独立地代表选自0、1、2和3的整数；q独立地代表选自0、1、2和3的整数；或其药学上可接受的盐或溶剂，但当Ar1是吡啶基团，且Z为- X-其中X连接到Ar1基团时，X选自-CH(OR5)-、-NR5-和- -其中- -基团可以可选择地由一个或多个C1-6烷基基团取代。该式（I）的化合物在治疗中特别作为抗精神病药物具有用途。