1-[2-[(2R)-4-[2-[3,5-双(三氟甲基)苯基]乙酰基]-2-(3,4-二氯苯基)-2-吗啉基]乙基]-alpha,alpha-二甲基-4-哌啶乙酰胺 | 537034-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 1-[2-[(2R)-4-[2-[3,5-双(三氟甲基)苯基]乙酰基]-2-(3,4-二氯苯基)-2-吗啉基]乙基]-alpha,alpha-二甲基-4-哌啶乙酰胺
• 英文名称: Burapitant
• 英文别名: 2-[1-[2-[(2R)-4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
• CAS: 537034-22-3
• 化学式: C₃₁H₃₅Cl₂F₆N₃O₃
• 分子量: 682.5
• InChiKey: ZLNYUCXXSDDIFU-LJAQVGFWSA-N

物化性质

• 密度：
  1.332

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  75.9
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS
  申请人：SCHUSTER Tilmann

  公开号：US20120122763A1

  公开（公告）日：2012-05-17

  The present invention provides novel tetrahydrocarbazole compounds according to formula (I) as ligands of G-protein coupled receptors (GPCR) which are useful in the treatment and/or prophylaxis of physiological and/or pathological conditions in mammals mediated by GPCR or of physiological and/or pathological conditions which can be treated by modulation of these receptors.

  本发明提供了新型四氢咔唑化合物，其符合公式（I），作为G蛋白偶联受体（GPCR）的配体，可用于治疗和/或预防哺乳动物由GPCR介导的生理和/或病理状况，或可以通过调节这些受体来治疗的生理和/或病理状况。
• Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors
  申请人：Æterna Zentaris GmbH

  公开号：EP1988098A1

  公开（公告）日：2008-11-05

  The present invention provides novel tetrahydrocarbazole derivatives according to formula (I) as ligands of G-protein coupled receptors (GPCR). The compounds of the invention are useful in the treatment and/or prophylaxis of physiological and/or pathological conditions in mammals, preferably humans, which are mediated by GPCR or of physiological and/or pathological conditions which can be treated by modulation of these receptors. The present invention further provides LHRH receptor antagonists that can be used for the modulation of these receptors and are useful for treating above conditions, in particular prostate cancer, breast cancer, uterine cancer, endometrial cancer, cervical cancer, ovarian cancer, benign prostate hyperplasia (BPH), endometriosis, uterine fibroids, uterine myomas, endometrium hyperplasia, dysmenorrhoea, dysfunctional uterine bleeding (menorrhagia, metrorrhagia), pubertas praecox, hirsutism, polycystic ovary syndrome, hormone-dependent tumor diseases, HIV infections or AIDS, neurological or neurodegenerative disorders, ARC (AIDS related complex), Kaposi sarcoma, tumors originating from the brain and/or nervous system and/or meninges, dementia, Alzheimer's disease, nausea and vomiting, pain, inflammations, rheumatic and arthritic pathological states.

  本发明提供了公式（I）的新型四氢咔唑衍生物，作为G蛋白偶联受体（GPCR）的配体。本发明的化合物可用于治疗和/或预防哺乳动物，尤其是人类的生理和/或病理状况，这些状况是由GPCR介导的或可以通过调节这些受体来治疗的生理和/或病理状况。本发明还提供了LHRH受体拮抗剂，可用于调节这些受体，对于治疗上述疾病，特别是前列腺癌、乳腺癌、子宫癌、子宫内膜癌、宫颈癌、卵巢癌、良性前列腺增生（BPH）、子宫内膜异位症、子宫肌瘤、子宫内膜增生、痛经、功能性子宫出血（月经过多、子宫出血）、早发性青春期、多毛症、多囊卵巢综合征、激素依赖性肿瘤疾病、HIV感染或艾滋病、神经或神经退行性疾病、ARC（艾滋病相关综合征）、卡波西肉瘤、起源于大脑和/或神经系统和/或脑膜的肿瘤、痴呆症、阿尔茨海默病、恶心和呕吐、疼痛、炎症、风湿和关节病理状态都很有用。
• Methods for regulating neurotransmitter systems by inducing counteradaptations
  申请人：Michalow Alexander

  公开号：US20060069086A1

  公开（公告）日：2006-03-30

  The present invention relates to methods for regulating neurotransmitter systems by inducing a counteradaptation response. According to one embodiment of the invention, a method for regulating a neurotransmitter includes the step of repeatedly administering a ligand for a receptor in the neurotransmitter system, with a ratio of administration half-life to period between administrations of no greater than 1/2. The methods of the present invention may be used to address a whole host of undesirable mental and neurological conditions.

  本发明涉及通过诱导反适应反应来调节神经递质系统的方法。根据本发明的一个实施方案，调节神经递质的方法包括重复施用神经递质系统中受体的配体，施用半衰期与施用间隔期之比不大于1/2。本发明的方法可用于解决一系列不良的精神和神经状况。
• METHODS FOR REGULATING NEUROTRANSMITTER SYSTEMS BY INDUCING COUNTERADAPTATIONS
  申请人：Michalow, Alexander

  公开号：EP2001495A2

  公开（公告）日：2008-12-17
• Methods for Regulating Neurotransmitter Systems by Inducing Counteradaptations
  申请人：Michalow Alexander

  公开号：US20100173926A1

  公开（公告）日：2010-07-08

  The present invention relates to methods for regulating neurotransmitter systems by inducing a counteradaptation response. According to one embodiment of the invention, a method for regulating a neurotransmitter includes the step of repeatedly administering a ligand for a receptor in the neurotransmitter system, with a ratio of administration half-life to period between administrations of no greater than ½. The methods of the present invention may be used to address a whole host of undesirable mental, neurological and physiological conditions.