tert-butyl 5-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate | 441065-34-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: tert-butyl 5-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
• 英文别名: 2-N-Boc-5-hydroxymethyl-3,4-dihydro-1H-isoquinoline；tert-butyl 5-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 441065-34-5
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: FFIPQWOPKSEGKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 5-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以96%的产率得到tert-butyl 5-(bromomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
  参考文献：
  名称：

  [EN] COMPOUNDS FOR TARGETED DEGRADATION OF BRD9
  [FR] COMPOSÉS POUR LA DÉGRADATION CIBLÉE DE LA BRD9

  摘要：

  提供了用于治疗由BRD9介导的疾病的BRD9蛋白降解化合物或其药用盐，包括但不限于异常细胞增殖。

  公开号：

  WO2021178920A1
• 作为产物：
  描述：

  tert-butyl 5-formyl-3,4-dihydroisoquinoline-2(1H)-carboxylate 在 甲醇 、 sodium tetrahydroborate 作用下， 以92%的产率得到tert-butyl 5-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
  参考文献：
  名称：

  [EN] COMPOUNDS FOR TARGETED DEGRADATION OF BRD9
  [FR] COMPOSÉS POUR LA DÉGRADATION CIBLÉE DE LA BRD9

  摘要：

  提供了用于治疗由BRD9介导的疾病的BRD9蛋白降解化合物或其药用盐，包括但不限于异常细胞增殖。

  公开号：

  WO2021178920A1

文献信息

• Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists
  申请人：——

  公开号：US20030069230A1

  公开（公告）日：2003-04-10

  This invention relates to compounds which are generally alpha-1A/B adrenoceptor antagonists and which are represented by Formula I: 1 wherein Z is —C(O)— or —S(O) 2 —, X is carbon or nitrogen, Y is carbon, and X-Y considered together are two adjoining atoms of the ring A, said ring being a fused aromatic ring of five to six atoms per ring optionally incorporating one to two heteroatoms per ring, chosen from N, O, or S; and the other substituents are as defined in the specification; or individual isomers, racemic or non-racemic mixtures of isomers, or pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, methods for their use as therapeutic agents, and methods of preparation thereof.

  这项发明涉及一般为α-1A/B肾上腺素受体拮抗剂的化合物，其由式I表示： 1 其中Z为—C(O)—或—S(O) 2 —，X为碳或氮，Y为碳，X-Y一起被视为环A的两个相邻原子，所述环是一个由每个环中的一个到两个异原子（选自N、O或S）的五到六个原子的融合芳香环；其他取代基如规范中所定义；或其单体异构体、消旋或非消旋异构体混合物，或其药学上可接受的盐或溶剂化合物。该发明还涉及含有这种化合物的药物组合物，以及它们作为治疗剂的使用方法和制备方法。
• [EN] PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS<br/>[FR] DICARBOXAMIDE DE PYRIDINONE UTILISÉ COMME INHIBITEUR DE BROMODOMAINE
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD

  公开号：WO2017037116A1

  公开（公告）日：2017-03-09

  The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

  本发明涉及式(I)的化合物及其盐，含有这种化合物的药物组合物，以及它们在治疗中的应用。
• [EN] ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4<br/>[FR] ANTAGONISTES DU RÉCEPTEUR MUSCARINIQUE M4 DE L'ACÉTYLCHOLINE
  申请人：UNIV VANDERBILT

  公开号：WO2022036177A1

  公开（公告）日：2022-02-17

  Disclosed herein are 1,2,3,4-tetrahydroisoquinolines and 4, 5, 6, 7 -tetrahy droth ieno [2, 3 - cjpyri.din.es, useful as antagonists of the muscarinic acetylcholine receptor M4 (mA.Ch.RM4). Also disclosed herein are methods of making the compounds, pharmaceutical compositions comprising the compounds, and methods of treating disorders using the compounds and compositions.

  本文披露了作为胆碱能受体M4（mA.Ch.RM4）拮抗剂的1,2,3,4-四氢异喹啉和4,5,6,7-四氢噻吩[2,3-c]吡啶等化合物。本文还披露了制备这些化合物的方法、包含这些化合物的药物组合物，以及使用这些化合物和组合物治疗疾病的方法。
• Compounds useful in therapy
  申请人：Pfizer Inc.

  公开号：US20040029859A1

  公开（公告）日：2004-02-12

  Compounds of formula (I): 1 or pharmaceutically acceptable salts or solvates thereof, wherein R 1 represents C 1-4 alkyl; R 2 represents halo, C 1-4 alkyl, C 3-6 cycloalkyl, C 3-6 cycloalkyloxy, —SO 2 (C 1-4 alkyl), optionally substituted C 1-4 alkyloxy, Het or —OHet; R 3 represents a bicyclic group of the formula 2 wherein X and Y are selected from C and N, provided that at least one is C; Ring A together with X and Y represents a 5- or 6-membered aromatic ring containing 0, 1, 2 or 3 nitrogen atoms in the ring; n is), 1 or 2 L represents a direct link, C 1-4 alkylene or C 1-4 alkoxyalkylene; R 4 represents H, —NR 5 R 6 , C 3-6 cycloalkyl, —OR 7 , Het 1 or Het 4 ; R 5 and R 6 are independently selected from H, C 3-6 cycloalkyl, C 3-6 cycloalkyl-C 1-4 alkylene, —SO 2 (C 1-4 alkyl) and optionally substituted C 1-4 alkyl R 7 is selected from H, C 1-4 alkyl, C 1-4 alkoxyalkyl, C 3-6 cycloalkyl, Het 2 and C 1-4 alkyl-Het 3 ; R 8 is H or C 1-4 alkyl; Het, Het 1 , Het 2 and Het 3 independently represent an optionally substituted 4 to 7 membered saturated heterocyclic group which may be mono- or bi-cyclic and which contains one or more heteroatoms selected from N, O or S; Het 4 represents an optionally substituted 5 or 6 membered unsaturated heterocyclic group containing one or more heteroatoms selected from N, O or S; R 9 is H or C 1-4 alkyl; R 10 and R 11 are independently selected from H and C 1-4 alkyl; are useful in the treatment of hypertension, myocardial infarction, male erectile dysfunction (MED), hyperlipidaemia, cardiac arrhythmia, glaucoma and benign prostatic hyperplasia (BPH). They also find utility in the treatment of female sexual arousal dysfunction (FSAD).

  式(I)的化合物：1或其药学上可接受的盐或溶剂化合物，其中R1代表C1-4烷基；R2代表卤素、C1-4烷基、C3-6环烷基、C3-6环烷氧基、—SO2(C1-4烷基)、可选取代的C1-4烷氧基、Het或—OHet；R3代表式2的双环基，其中X和Y选择自C和N，但至少有一个是C；环A与X和Y一起表示含0、1、2或3个氮原子的5-或6成员芳香环；n为0、1或2；L表示直接链接、C1-4烷基或C1-4烷氧基烷基；R4代表H、—NR5R6、C3-6环烷基、—OR7、Het1或Het4；R5和R6独立选择自H、C3-6环烷基、C3-6环烷基-C1-4烷基、—SO2(C1-4烷基)和可选取代的C1-4烷基；R7选择自H、C1-4烷基、C1-4烷氧基烷基、C3-6环烷基、Het2和C1-4烷基-Het3；R8为H或C1-4烷基；Het、Het1、Het2和Het3独立表示可选取代的4到7成员饱和杂环基，可以是单环或双环，并且包含一个或多个选择自N、O或S的杂原子；Het4表示可选取代的5或6成员不饱和杂环基，其中包含一个或多个选择自N、O或S的杂原子；R9为H或C1-4烷基；R10和R11独立选择自H和C1-4烷基；它们在治疗高血压、心肌梗塞、男性勃起功能障碍（MED）、高脂血症、心脏心律失常、青光眼和良性前列腺增生（BPH）方面有用。它们还在治疗女性性唤起障碍（FSAD）方面发现有用。
• Quinazolinone compounds useful in therapy
  申请人：Blagg Julian

  公开号：US06936619B2

  公开（公告）日：2005-08-30

  Compounds of formula (I): or pharmaceutically acceptable salts or solvates thereof, wherein R 1 represents C 1-4 alkyl; R 2 represents halo, C 1-4 alkyl, C 3-6 cycloalkyl, C 3-6 cycloalkyloxy, —SO 2 (C 1-4 alkyl), optionally substituted C 1-4 alkyloxy, Het or —OHet; R 3 represents a bicyclic group of the formula wherein X and Y are selected from C and N, provided that at least one is C; Ring A together with X and Y represents a 5- or 6-membered aromatic ring containing 0, 1, 2 or 3 nitrogen atoms in the ring; n is), 1 or 2 L represents a direct link, C 1-4 alkylene or C 1-4 alkoxyalkylene; R 4 represents H, —NR 5 R 6 , C 3-6 cycloalkyl, —OR 7 , Het 1 or Het 4 ; R 5 and R 6 are independently selected from H, C 3-6 cycloalkyl, C 3-6 cycloalkyl-C 1-4 alkylene, —SO 2 (C 1-4 alkyl) and optionally substituted C 1-4 alkyl R 7 is selected from H, C 1-4 alkyl, C 1-4 alkoxyalkyl, C 3-6 cycloalkyl, Het 2 and C 1-4 alkyl-Het 3 ; R 8 is H or C 1-4 alkyl; Het, Het 1 , Het 2 and Het 3 independently represent an optionally substituted 4 to 7 membered saturated heterocyclic group which may be mono- or bi-cyclic and which contains one or more heteroatoms selected from N, O or S; Het 4 represents an optionally substituted 5 or 6 membered unsaturated heterocyclic group containing one or more heteroatoms selected from N, O or S; R 9 is H or C 1-4 alkyl; R 10 and R 11 are independently selected from H and C 1-4 alkyl; are useful in the treatment of hypertension, myocardial infarction, male erectile dysfunction (MED), hyperlipidaemia, cardiac arrhythmia, glaucoma and benign prostatic hyperplasia (BPH). They also find utility in the treatment of female sexual arousal dysfunction (FSAD).

  化合物（I）的公式或其药学上可接受的盐或溶剂化物，其中R1代表C1-4烷基；R2代表卤素，C1-4烷基，C3-6环烷基，C3-6环烷氧基，—SO2（C1-4烷基），可选择取代的C1-4烷氧基，Het或—OHet；R3代表公式的双环基： 其中X和Y选择自C和N，但至少一个为C；环A与X和Y一起代表含有0、1、2或3个氮原子的5-或6成员芳香环；n为0、1或2；L代表直接连接，C1-4烷基或C1-4烷氧基烷基；R4代表H，—NR5R6，C3-6环烷基，—OR7，Het1或Het4；R5和R6独立选择自H，C3-6环烷基-C1-4烷基，—SO2（C1-4烷基）和可选择取代的C1-4烷基；R7选择自H，C1-4烷基，C1-4烷氧基烷基，C3-6环烷基，Het2和C1-4烷基-Het3；R8为H或C1-4烷基；Het、Het1、Het2和Het3独立表示可选择取代的4到7成员饱和杂环基团，可以是单环或双环，并且其中包含一个或多个选择自N、O或S的杂原子；Het4表示可选择取代的5或6成员不饱和杂环基团，其中包含一个或多个选择自N、O或S的杂原子；R9为H或C1-4烷基；R10和R11独立选择自H和C1-4烷基。这些化合物对高血压、心肌梗死、男性勃起功能障碍（MED）、高脂血症、心脏心律失常、青光眼和良性前列腺增生（BPH）的治疗有用。它们还在女性性唤起障碍（FSAD）的治疗中发挥作用。