3H-<1,4>Benzodiazepin-5-on | 40078-07-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3H-<1,4>Benzodiazepin-5-on
• 英文别名: 3H-Benzo[e][1,4]diazepin-5(4H)-one；3,4-dihydro-1,4-benzodiazepin-5-one
• CAS: 40078-07-7
• 化学式: C₉H₈N₂O
• mdl: MFCD11107157
• 分子量: 160.175
• InChiKey: XDHQEGDCNWTJQA-UHFFFAOYSA-N

物化性质

• 沸点：
  457.0±38.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF<br/>[FR] INHIBITEURS DE PROTÉINE ARGININE MÉTHYLTRANSFÉRASE 5 (PRMT5), LEURS PRODUITS PHARMACEUTIQUES ET PROCÉDÉS ASSOCIÉS
  申请人：PHARMABLOCK SCIENCES NANJING INC

  公开号：WO2019173804A1

  公开（公告）日：2019-09-12

  The present invention provides PRMT5 inhibitors of Formula (I), wherein R1 is a non-hydrogen monovalent group; W is a direct bond or -NH-; T, U, and V are independently of each other selected from C and N; R2 is H or a halo; m is 1 or 2; X is a carbon, a nitrogen, or an oxygen; Y is C or N; Z is a direct bond or a carbon; R3 is H, a non-hydrogen monovalent group, an oxo group, a bivalent spiro ring-forming group, or a bivalent bridge-forming group; n is 1 or 2; and Formula (II) stands for a single bond or a double bond. Pharmaceutical products comprising the PRMT5 inhibitors and use thereof in treating proliferative disorders such as cancer, metabolic disorders, blood disorders, autoimmune diseases, and inflammatory diseases are also provided.

  本发明提供了式（I）的PRMT5抑制剂，其中R1是非氢单价基团；W是直键或-NH-；T、U和V分别独立地选自C和N；R2是H或卤素；m为1或2；X是碳、氮或氧；Y是C或N；Z是直键或碳；R3是H、非氢单价基团、氧基团、二价螺环形成基团或二价桥形成基团；n为1或2；式（II）代表单键或双键。还提供了包含PRMT5抑制剂的药物产品以及在治疗增殖性疾病如癌症、代谢性疾病、血液疾病、自身免疫疾病和炎症性疾病中使用它们的用途。
• [EN] DRUG CONJUGATES WITH SELF-STABILIZING LINKERS HAVING IMPROVED PHYSIOCHEMICAL PROPERTIES<br/>[FR] CONJUGUÉS DE MÉDICAMENTS AVEC DES LIEURS AUTO-STABILISANTS, AUX PROPRIÉTÉS PHYSIOCHIMIQUES AMÉLIORÉES
  申请人：SEATTLE GENETICS INC

  公开号：WO2018031690A1

  公开（公告）日：2018-02-15

  Compounds and compositions are disclosed in which a Drug Unit is linked to a targeting Ligand Unit through a self-stabilizing Linker Unit from which a drug compound or active drug moiety is released at the targeted site of action. Methods for treating diseases characterized by the targeted abnormal cells, such as cancer or an autoimmune disease using the compounds and compositions of the invention are also disclosed.

  本发明公开了一种化合物和组合物，其中药物单元通过自稳定链单元与靶向配体单元连接，从而在靶向作用的位置释放药物化合物或活性药物基团。本发明还公开了使用本发明的化合物和组合物治疗以靶向异常细胞为特征的疾病，例如癌症或自身免疫疾病的方法。
• Drug discovery method
  申请人：Ofer Dror

  公开号：US20050277117A1

  公开（公告）日：2005-12-15

  A method of obtaining information about a chemically active area of a target molecule, for example for drug discovery, comprising: providing a set of substantially rigid chemical gauges; reacting said target with a plurality of gauges of said set of gauges, assaying a binding of said gauges with said target to obtain a plurality of assay results; and analyzing said assay results to obtain information about said chemically active area.

  一种获取有关目标分子的化学活性区域信息的方法，例如用于药物开发，包括：提供一组基本上刚性的化学测量工具；将所述目标物质与该组测量工具中的多个测量工具反应，检测所述测量工具与所述目标物质的结合，以获得多个检测结果；并分析所述检测结果以获取有关所述化学活性区域的信息。
• DRUG DISCOVERY METHOD
  申请人：OFER Dror

  公开号：US20110237458A1

  公开（公告）日：2011-09-29

  A method of obtaining information about a chemically active area of a target molecule, for example for drug discovery, comprising: providing a set of substantially rigid chemical gauges; reacting said target with a plurality of gauges of said set of gauges; assaying a binding of said gauges with said target to obtain a plurality of assay results; and analyzing said assay results to obtain information about said chemically active area.

  一种获取目标分子的化学活性区域信息的方法，例如用于药物发现，包括：提供一组基本刚性的化学测量工具；将该目标物质与该测量工具组的多个测量工具反应；测定该测量工具与该目标物质的结合，以获得多个测定结果；并分析该测定结果，以获取有关该化学活性区域的信息。
• ACTIVATED CARBON FILTRATION FOR PURIFICATION OF BENZODIAZEPINE ADCS
  申请人：Seattle Genetics, Inc.

  公开号：EP3441072A1

  公开（公告）日：2019-02-13

  Disclosed are methods of purifying mixtures comprising benzodiazepine antibody-drug conjugates.

  所公开的是纯化包含苯并二氮杂卓抗体-药物共轭物的混合物的方法。