N-BOC-1,2,3,4-四氢异喹啉-6-硼酸 | 1312765-94-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 中文名称: N-BOC-1,2,3,4-四氢异喹啉-6-硼酸
• 英文名称: (2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)boronic acid
• 英文别名: [2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-6-yl]boronic acid
• CAS: 1312765-94-8
• 化学式: C₁₄H₂₀BNO₄
• 分子量: 277.128
• InChiKey: YRZFASFEBKAGEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.66
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  N-BOC-1,2,3,4-四氢异喹啉-6-硼酸 在 四(三苯基膦)钯 、 caesium carbonate 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 (S)-ethyl 2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyridin-3-yl)acetate
  参考文献：
  名称：

  [EN] PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION
  [FR] DÉRIVÉS D'ACIDE PYRIDIN-3-YLE ACÉTIQUE UTILISÉS COMME INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE

  摘要：

  揭示了公式I的化合物，包括药学上可接受的盐，包含这些化合物的药物组合物，制备这些化合物的方法，以及它们在抑制HIV整合酶和治疗HIV或艾滋病感染者中的用途。

  公开号：

  WO2017195111A1

文献信息

• [EN] 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C] PYRIMIDINES AS INHIBITORS OF JAK KINASES<br/>[FR] [1,2-C]PYRIMIDINES 5,7-IMIDAZO-SUBSTITUÉES COMME INHIBITEURS DE JAK KINASES
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2011130146A1

  公开（公告）日：2011-10-20

  Compounds of Formula I: (Formula should be inserted here) and stereoisomers and pharmaceutically acceptable salts and solvates thereof in which R1, R2, R3, R4, R5, R6, R7, X1 and X2 have the meanings given in the specification, are inhibitors of one or more JAK kinases and are useful in the treatment of autoimmune diseases, inflammatory diseases, rejection of transplanted organs, tissues and cells, as well as hematologic disorders and malignancies and their co-morbidities.

  化合物的化学式I：（应在此处插入化学式），以及其立体异构体和药学上可接受的盐和溶剂化合物，其中R1、R2、R3、R4、R5、R6、R7、X1和X2的含义如规范中所述，是一种或多种JAK激酶的抑制剂，并且在治疗自身免疫疾病、炎症性疾病、移植器官、组织和细胞的排斥反应、以及血液学紊乱和恶性肿瘤及其共病症方面具有用处。
• [EN] PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS D'ACIDE PYRIDIN-3-YLE ACÉTIQUE UTILISÉS EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK NO 5 LTD

  公开号：WO2018127801A1

  公开（公告）日：2018-07-12

  Disclosed are compounds of Formula I, including pharmaceutically acceptable salts, pharmaceutical compositions comprising the compounds, methods for making the compounds and their use in inhibiting HIV integrase and treating those infected with HIV or AIDS.

  公开了式I化合物，包括药学上可接受的盐、包含这些化合物的药物组合物、制备这些化合物的方法以及它们在抑制HIV整合酶和治疗HIV或AIDS感染者中的用途。
• [EN] 5-(N-BENZYL TETRAHYDROISOQUINOLIN-6-YL) PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS D'ACIDE 5-(N-BENZYL TÉTRAHYDROISOQUINOLIN-6-YL) PYRIDIN-3-YL-ACÉTIQUE UTILISÉS COMME INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK (NO 5) LTD

  公开号：WO2017025917A1

  公开（公告）日：2017-02-16

  Disclosed are compounds of Formula (I), including pharmaceutically acceptable salts, pharmaceutical compositions comprising the compounds, methods for making the compounds and their use in inhibiting HIV integrase and treating those infected with HIV or AIDS. In the compounds of formula (I), R1 is selected from hydrogen, alkyl, or cycloalkyi; R2 is selected from tetrahydroisoquinolinyl and is substituted with 1 R6 substituent and also with 0-3 halo or alkyl substituents; R3 is selected from azetidinyl, pyrrolidinyl, piperidinyl, piperazinyl, morpholinyl, homopiperidinyl, homopiperazinyl, or homomorpholinyl, and is substituted with 0-3 substituents selected from cyano, halo, alkyl, haloalkyi, alkoxy, and haloalkoxy; R4 is selected from alkyl or haloalkyi; R5 is alkyl; R6 is selected from Ar1, (Ar1)alkyl, (chromanyl)alkyl, cyanocycloalkyl or (dihydrobenzodioxinyl)alkyl; and Ar1 is phenyl substituted with 0-5 substituents selected from cyano, halo, alkyl, cycloalkyi, haloalkyi, hydroxy, alkoxy, haloalkoxy, (hydroxy)alkoxy, (alkoxy)alkoxy, phenoxy, benzyloxy, carboxy, phenyl, and cyanocycloalkyl.

  揭示了Formula (I)的化合物，包括药学上可接受的盐，含有这些化合物的药物组合物，制备这些化合物的方法以及它们在抑制HIV整合酶和治疗HIV或艾滋病感染者中的用途。在Formula (I)的化合物中，R1从氢，烷基或环烷基中选择；R2从四氢异喹啉基中选择，并且用1个R6取代基和0-3个卤素或烷基取代基取代；R3从氮杂环丁基，吡咯啉基，哌啶基，哌嗪基，吗啉基，环己基哌啶基，环己基哌嗪基或环己基吗啉基中选择，且用0-3个取代基从氰基，卤素，烷基，卤代烷基，烷氧基和卤代烷氧基中选择取代；R4从烷基或卤代烷基中选择；R5为烷基；R6从Ar1，(Ar1)烷基，(色苯基)烷基，氰基环烷基或(二氢苯并二氧杂环己基)烷基中选择；而Ar1为苯基，取代基选择自氰基，卤素，烷基，环烷基，卤代烷基，羟基，烷氧基，卤代烷氧基，(羟基)烷氧基，(烷氧基)烷氧基，苯氧基，苄氧基，羧基，苯基和氰基环烷基。
• [EN] 5-(N-[6,5]-FUSED BICYCLIC ARYL TETRAHYDROISOQUINOLIN-6-YL) PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS BICYCLIQUES CONDENSÉS D'ACIDE 5-(N- [6,5]-ARYLE TÉTRAHYDROISOQUINOLIN-6-YL) PYRIDIN-3-YL-ACÉTIQUE UTILISÉS EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK (NO 5) LTD

  公开号：WO2017025916A1

  公开（公告）日：2017-02-16

  Disclosed are compounds of Formula (I), including pharmaceutically acceptable salts, pharmaceutical compositions comprising the compounds, methods for making the compounds and their use in inhibiting HIV integrase and treating those infected with HIV or AIDS.

  揭示了Formula (I)的化合物，包括药用盐，含有这些化合物的药物组合物，制备这些化合物的方法以及它们在抑制HIV整合酶和治疗HIV或艾滋病感染者中的用途。
• [EN] 5-(N-FUSED TRICYCLIC ARYL TETRAHYDROISOQUINOLIN-6-YL) PYRIDIN-3- YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS TRICYCLIQUES CONDENSÉS D'ACIDE 5-(N-ARYLE TÉTRAHYDROISOQUINOLIN-6-YL) PYRIDIN-3-YL ACÉTIQUE UTILISÉS EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK (NO 5) LTD

  公开号：WO2017025914A1

  公开（公告）日：2017-02-16

  Disclosed are compounds of Formula (I), including pharmaceutically acceptable salts, pharmaceutical compositions comprising the compounds, methods for making the compounds and their use in inhibiting HIV integrase and treating those infected with HIV or AIDS.

  本申请公开了Formula (I)的化合物，包括药用盐，含有这些化合物的药物组合物，制备这些化合物的方法以及它们在抑制HIV整合酶和治疗感染HIV或艾滋病的人中的用途。