Nolpitantium | 155418-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Nolpitantium
• 英文别名: 1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
• CAS: 155418-05-6
• 化学式: C37H45Cl2N2O2+
• 分子量: 620.7
• InChiKey: RPDFDSQFBCJTDY-GAQXSTBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

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。
• Genetic polymorphisms in the preprotachykinin gene
  申请人：Foernzler Dorothee

  公开号：US20060228752A1

  公开（公告）日：2006-10-12

  The present invention relates to a method for correlating single nucleotide polymorphisms in the preprotachykinin (NKNA) gene with the efficacy and compatibility of a pharmaceutically active compound administered to a human being. The invention further relates to a method for determining the efficacy and compatibility of a pharmaceutically active compound administered to a human being which method comprises determining at least one single nucleotide polymorphism in the NKNA gene. Said methods are based on determining specific single nucleotide polymorphisms in the NKNA gene and determining the efficacy and compatibility of a pharmaceutically active compound in the human by reference to polymorphism in NKNA. The invention further relates to isolated nucleic acids comprising within their sequence the polymorphisms as defined herein, to nucleic acid primers and oligonucleotide probes capable of hybridizing to such nucleic acids and to a diagnostic kit comprising one or more of such primers and probes for detecting a polymorphism in the NKNA gene, to a pharmaceutical pack comprising NK-1 receptor antagonists and instructions for administration of the drug to human beings tested for the polymorphisms as well as to a computer readable medium with the stored sequence information for the polymorphisms in the NKNA gene.

  本发明涉及一种将前激肽（NKNA）基因中的单核苷酸多态性与给人服用的药用活性化合物的药效和相容性相关联的方法。本发明还涉及一种确定给人服用的药用活性化合物的药效和相容性的方法，该方法包括确定 NKNA 基因中的至少一种单核苷酸多态性。所述方法的基础是确定 NKNA 基因中特定的单核苷酸多态性，并参照 NKNA 中的多态性确定药用活性化合物在人体内的药效和相容性。本发明还涉及在其序列中包含本文所定义的多态性的分离核酸、能与这种核酸杂交的核酸引物和寡核苷酸探针以及包含一种或多种用于检测 NKNA 基因中多态性的这种引物和探针的诊断试剂盒、包含 NK-1 受体拮抗剂的药包和对接受多态性检测的人用药的说明书，以及存储有 NKNA 基因多态性序列信息的计算机可读介质。
• UTILISATION D'ANTAGONISTES DES RECEPTEURS NK1 POUR LA PREPARATION DE MEDICAMENTS A ACTION CARDIOREGULATRICE
  申请人：SANOFI

  公开号：EP0786988A1

  公开（公告）日：1997-08-06
• FORMULATION PHARMACEUTIQUE LYOPHILISEE STABLE
  申请人：SANOFI-SYNTHELABO

  公开号：EP0858325B1

  公开（公告）日：2002-07-31