Unii-QI52W1ziib | 1402602-94-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Unii-QI52W1ziib
• 英文别名: 3-amino-1-methyl-3-[4-(5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-4-yl)phenyl]cyclobutan-1-ol
• CAS: 1402602-94-1
• 化学式: C₂₆H₂₄N₄O₂
• 分子量: 424.5
• InChiKey: AIFGVDXMHWGOGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  655.8±65.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  86.2
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• NOVEL IMIDAZO-OXAZINE COMPOUND OR SALT THEREOF
  申请人：Nakamura Masayuki

  公开号：US20140005185A1

  公开（公告）日：2014-01-02

  The present invention provides an imidazooxazine compound represented by Formula (I) or a salt thereof, wherein A, B, C, and D are as defined in the specification.

  本发明提供了一种由化学式(I)表示的咪唑氧嗪化合物或其盐，其中A、B、C和D如规范中所定义。
• [EN] Enhancement of anti-tumor activity of SHP2 inhibitor pyrimidinone in combination with novel cancer medicines in cancers<br/>[FR] AMÉLIORATION DE L'ACTIVITÉ ANTI-TUMORALE DE LA PYRIMIDINONE INHIBITRICE DE SHP2 EN ASSOCIATION AVEC DE NOUVEAUX MÉDICAMENTS ANTI-CANCÉREUX CONTRE LE CANCER
  申请人：TAIHO PHARMACEUTICAL CO LTD

  公开号：WO2021149817A1

  公开（公告）日：2021-07-29

  The present invention provides a combination drug for the treatment of a malignant tumor comprising 2-((1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl)-5-(3,4-dichloro-2-methyl-2H-indazol-5-yl)-3-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one or a pharmaceutically acceptable salt thereof, and at least one additional compound having an antitumor effect or at least one pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising both the active ingredients.

  本发明提供一种治疗恶性肿瘤的联合药物，包括2-((1R,2R,4S)-2-氨基-7-氮杂双环[2.2.1]庚烷-7-基)-5-(3,4-二氯-2-甲基-2H-吲唑并[5-yl]-3-甲基-3,7-二氢-4H-吡咯并[2,3-d]嘧啶-4-酮或其药学上可接受的盐，以及至少一种具有抗肿瘤效果的额外化合物或其药学上可接受的盐，并且包括同时含有这两种活性成分的制药组合物。
• ANTITUMOR EFFECT POTENTIATOR COMPOSED OF IMIDAZOOXAZINE COMPOUND
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US20150164909A1

  公开（公告）日：2015-06-18

  An antitumor effect potentiator for potentiating one or more other antitumor agents, comprising, as an active ingredient, an imidazooxazine compound represented by Formula (I), or a pharmaceutically acceptable salt thereof, wherein A, B, C, and D represent C—R 1a , C—R 1b , C—R 1c , and C—R 1d , respectively, or one or two of A, B, C, and D represent an N atom; at least two of R 1a , R 1b , R 1c , and R 1d represent hydrogen, and the other(s) represent(s) halogen; cyano; C 1-6 alkyl that may have hydroxyl group(s) as substituent(s); C 1-6 alkoxy; carbonyl having, as a substituent, hydroxyl, amino, optionally substituted mono- or di-(C 1-6 alkyl)amino, or mono- or di-(C 1-6 alkoxy)amino; or an unsaturated heterocyclic group; R 2 represents phenyl, pyridyl, or thienyl; R 3 represents hydrogen, methyl, ethyl, or cyclopropyl; and R 4 represents hydrogen or hydroxy.

  一种抗肿瘤效应增强剂，用于增强一种或多种其他抗肿瘤剂的作用，包括作为活性成分的由式（I）表示的咪唑氧噻啶化合物或其药学上可接受的盐，其中A、B、C和D分别表示C-R1a、C-R1b、C-R1c和C-R1d，或者A、B、C和D中的一个或两个表示N原子；R1a、R1b、R1c和R1d中至少两个表示氢，其他一个或多个表示卤素、氰基、C1-6烷基（可具有羟基取代基）、C1-6烷氧基、羟基、氨基、可选取代的单烷基或二烷基氨基、单烷氧基或二烷氧基氨基的卡宾基，或不饱和杂环基；R2表示苯基、吡啶基或噻吩基；R3表示氢、甲基、乙基或环丙基；R4表示氢或羟基。
• METHOD FOR PREDICTING THERAPEUTIC EFFICACY OF PI3K/AKT/mTOR INHIBITOR ON BASIS OF PHLDA1 OR PIK3C2B EXPRESSION
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP3012327A1

  公开（公告）日：2016-04-27

  An object of the present invention is to provide a chemotherapy using a PI3K/AKT/mTOR inhibitor that produces an excellent antitumor effect on a cancer patient. The present invention provides a method for predicting the therapeutic efficacy of the chemotherapy using the antitumor agent comprising a PI3K/AKT/mTOR inhibitor on a cancer patient on the basis of the expression level of PHLDA1 and/or PIK3C2B in a biological sample containing tumor cells isolated from the cancer patient.

  本发明的目的是提供一种使用PI3K/AKT/mTOR抑制剂的化疗方法，该化疗方法可对癌症患者产生极佳的抗肿瘤效果。本发明提供了一种方法，可根据从癌症患者体内分离出的含有肿瘤细胞的生物样本中 PHLDA1 和/或 PIK3C2B 的表达水平，预测使用包含 PI3K/AKT/mTOR 抑制剂的抗肿瘤剂的化疗对癌症患者的疗效。
• CRYSTAL OF IMIDAZO-OXAZINE, PHARMACEUTICAL COMPOSITION CONTAINING SAID CRYSTAL, AND METHOD FOR PRODUCING SAID CRYSTAL
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP3263573A1

  公开（公告）日：2018-01-03

  An object of the present invention is to provide a crystal of trans-3-amino-1-methyl-3-(4-(3-phenyl-5H-imidazo[1,2-c]pyrido[3,4-e][1,3]oxazin-2-yl)phenylcyclobutanol having excellent stability and favorable characteristics in terms of its production and formulation into drugs. The present invention provides a crystal of trans-3-amino-1-methyl-3-(4-(3-phenyl-5H-imidazo[1,2-c]pyrido[3,4-e] [1,3]oxazin-2-yl)phenylcyclobutanol having characteristic peaks of diffraction angle (2θ±0.1°) at 7.7°, 9.5°, 10.3°, 12.3°, 14.5°, 15.6°, 16.3°, 17.8°, 18.3°, 19.3°, 20.9°, 22.8°, 24.2°, 25.7°, 26.8°, 27.7°, 29.0° and 30.1° in a powder X-ray diffraction spectrum.

  本发明的目的是提供一种反式-3-氨基-1-甲基-3-(4-(3-苯基-5H-咪唑并[1,2-c]吡啶并[3,4-e][1,3]恶嗪-2-基)苯基环丁醇晶体，该晶体具有极佳的稳定性，在生产和配制成药物方面具有良好的特性。本发明提供了一种反式-3-氨基-1-甲基-3-(4-(3-苯基-5H-咪唑并[1,2-c]吡啶并[3,4-e][1,3]恶嗪-2-基)苯基环丁醇晶体，该晶体的衍射角特征峰（2θ±0.在粉末 X 射线衍射谱中，在 7.7°、9.5°、10.3°、12.3°、14.5°、15.6°、16.3°、17.8°、18.3°、19.3°、20.9°、22.8°、24.2°、25.7°、26.8°、27.7°、29.0° 和 30.1°处有特征衍射角 (2θ±0. 1°) 的峰。