3-乙基-3,6-二氮杂双环[3.1.1]庚烷 | 1532561-55-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3-乙基-3,6-二氮杂双环[3.1.1]庚烷
• 英文名称: 3-ethyl-3,6-diazabicyclo[3.1.1]heptane
• CAS: 1532561-55-9
• 化学式: C₇H₁₄N₂
• 分子量: 126.202
• InChiKey: XPHVDWZJUKRWNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1aR,12bS)-8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepine-1a(2H)-carboxylic acid 、 3-乙基-3,6-二氮杂双环[3.1.1]庚烷 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.75h， 生成 (1aR,12bS)-8-cyclohexyl-N-[(dimethylamino)sulfonyl]-1a-[(3-ethyl-3,6-diazabicyclo[3.1.1]hept-6-yl)carbonyl]-1,1a,2,12b-tetrahydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide
  参考文献：
  名称：

  Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase

  摘要：

  Described herein are structure-activity relationship studies that resulted in the optimization of the activity of members of a class of cyclopropyl-fused indolobenzazepine HCV NS5B polymerase inhibitors. Subsequent iterations of analogue design and syntheses successfully addressed off-target activities, most notably human pregnane X receptor (hPXR) transactivation, and led to significant improvements in the physicochemical properties of lead compounds. Those analogues exhibiting improved solubility and membrane permeability were shown to have notably enhanced pharmacokinetic profiles. Additionally, a series of alkyl bridged piperazine carboxamides was identified as being of particular interest, and from which the compound BMS-791325 (2) was found to have distinguishing antiviral, safety, and pharmacokinetic properties that resulted in its selection for clinical evaluation.

  DOI：

  10.1021/jm4016894

文献信息

• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRAZOLO[1,5-A]PYRIDINE EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ANDREWS STEVEN W

  公开号：WO2018071447A1

  公开（公告）日：2018-04-19

  Provided herein are compounds of the Formula I and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, X1, X2, X3, X4, Ring D, and E have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

  本文件提供了公式I的化合物以及立体异构体和药用可接受的盐或溶剂化物，其中A、B、X1、X2、X3、X4、环D和E具有说明书中给出的含义，它们是RET激酶的抑制剂，可用于治疗和预防可通过RET激酶抑制剂治疗的疾病，包括与RET相关疾病和失调。
• [EN] 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES<br/>[FR] COMPOSÉS DE 5- ET 6-AZAINDOLE POUR L'INHIBITION DE TYROSINE KINASES BCR-ABL
  申请人：ENLIVEN THERAPEUTICS INC

  公开号：WO2022076975A1

  公开（公告）日：2022-04-14

  The present disclosure relates to compounds and compositions for inhibition of Bcr- Abl tyrosine kinases, methods of preparing said compounds and compositions, and their use in the treatment of various cancers, such as chronic myeloid leukemia (CML).

  本公开涉及抑制Bcr-Abl酪氨酸激酶的化合物和组合物，制备该化合物和组合物的方法，以及它们在治疗各种癌症，如慢性髓细胞白血病（CML）中的应用。
• 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS
  申请人：Bradbury Barton James

  公开号：US20120040959A1

  公开（公告）日：2012-02-16

  The invention provides compound and salts of Formula I and II, disclosed herein, which includes compounds of Formula A and Formula B: Such compounds possess useful antimicrobial activity. The variables R 2 , R 3 , R 5 , R 6 , R 7 , and R 9 shown in Formula A and B are defined herein. Certain compounds of Formula I and Formula II disclosed herein are potent and/or selective inhibitors of bacterial DNA synthesis and bacterial replication. The invention also provides antimicrobial compositions, including pharmaceutical compositions, containing one or more compounds of Formula I or Formula II and one or more carriers, excipients, or diluents. Such compositions may contain a compound of Formula I or Formula II as the only active agent or may contain a combination of a compound of Formula I or Formula II and one or more other active agents. The invention also provides methods for treating microbial infections in animals.

  本发明提供了公式I和II的化合物和盐，其中包括公式A和公式B的化合物：这些化合物具有有用的抗微生物活性。 公式A和B中显示的变量R2、R3、R5、R6、R7和R9在此定义。 本文所披露的某些公式I和公式II的化合物是细菌DNA合成和细菌复制的有效和/或选择性抑制剂。 本发明还提供了抗微生物组合物，包括含有一个或多个公式I或公式II化合物的制药组合物和一个或多个载体、赋形剂或稀释剂。 这样的组合物可以仅包含公式I或公式II的化合物作为唯一活性剂，也可以包含公式I或公式II的化合物和一个或多个其他活性剂的组合物。 本发明还提供了治疗动物微生物感染的方法。
• Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors
  申请人：Array BioPharma, Inc.

  公开号：US10174027B2

  公开（公告）日：2019-01-08

  Provided herein are compounds of the General Formula I: and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, D, E, X1, X2, X3 and X4 have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including diseases or disorders mediated by a RET kinase.

  本文提供的是通式 I 的化合物： 及其立体异构体和药学上可接受的盐或溶液，其中 A、B、D、E、X1、X2、X3 和 X4 具有说明书中给出的含义，它们是 RET 激酶的抑制剂，可用于治疗和预防可以用 RET 激酶抑制剂治疗的疾病，包括由 RET 激酶介导的疾病或紊乱。
• Methods and compositions for modulating splicing
  申请人：SKYHAWK THERAPEUTICS, INC.

  公开号：US11162101B2

  公开（公告）日：2021-11-02

  Described herein are small molecule splicing modulator compounds that modulate splicing of mRNA, such as pre-mRNA, encoded by genes, and methods of use of the small molecule splicing modulator compounds for modulating splicing and treating diseases and conditions.

  本文描述了可调节基因编码的 mRNA（如 pre-mRNA）剪接的小分子剪接调节剂化合物，以及使用小分子剪接调节剂化合物调节剪接和治疗疾病的方法。