N-(5-氨基-1-氧代戊基)-L-苯丙氨酰-L-苯丙氨酰-L-脯氨酰-N-甲基-L-亮氨酰-L-蛋氨酰胺 | 133156-06-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 中文名称: N-(5-氨基-1-氧代戊基)-L-苯丙氨酰-L-苯丙氨酰-L-脯氨酰-N-甲基-L-亮氨酰-L-蛋氨酰胺
• 英文名称: GR 73632
• 英文别名: δ-amino valeryl{L-Pro⁹,N-MeLeu¹⁰}-substance P(7-11)；δ-Ava[L-Pro⁹,N-Me-Leu¹⁰]substance P-(7-11)；δAva[L-Pro⁹,N-Me-Leu¹⁰]SP(7-11)；δ-aminovaleryl-[Pro9,MeLeu10]substance P (7-11)；Ava[L-Pro⁹,N-MeLeu10]substance P (7-11)；N-(5-amino-1-oxopentyl)-Phe-Phe-Pro-MeLeu-Met-NH2；L-Methioninamide, N-(5-amino-1-oxopentyl)-L-phenylalanyl-L-phenylalanyl-L-prolyl-N-methyl-L-leucyl-；(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
• CAS: 133156-06-6
• 化学式: C₄₀H₅₉N₇O₆S
• 分子量: 766.018
• InChiKey: HQKPTSSZOJLFBZ-LJADHVKFSA-N

物化性质

• 沸点：
  1082.2±65.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)
• 溶解度：
  水：1.0（最大浓度 mg/mL）；1.31（最大浓度 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  54
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  222
• 氢给体数：
  5
• 氢受体数：
  8

安全信息

• WGK Germany：
  3
• 安全说明：
  S22
• 储存条件：
  -20°C，密封保存，并置于干燥处。

制备方法与用途

生物活性

GR-73632 是一种新型速激肽神经激肽1 (NK-1) 受体激动剂，能够直接作用于初级感觉神经元的外周末端，传递瘙痒信号。

靶点

IC50: NK-1受体

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。
• NEUROKININ 1 RECEPTOR AGONIST MEDIATED PROTECTION OF THE EYE
  申请人：WAYNE STATE UNIVERSITY

  公开号：US20170246238A1

  公开（公告）日：2017-08-31

  Neurokinin 1 receptor (NK1R) agonist mediated protection of the eye is described. The protection can reduce dry eye and ocular infections, particularly in individuals with reduced NK1R activity.
• METHODS AND COMPOSITION FOR MODULATING IMMUNE RESPONSE AND IMMUNE HOMEOSTASIS
  申请人：Massachusetts Institute of Technology

  公开号：US20210118522A1

  公开（公告）日：2021-04-22

  The present invention discloses novel methods, uses thereof, and compositions for modulating immune responses and homeostasis in a lymph node (LN). Moreover, structural and molecular characteristics of LN-innervating sensory neurons are provided. The present invention also discloses the target cells for LN-innervating sensory neurons in LN and molecular profiles of these target cells. These molecular characteristics provide therapeutic targets for modulating immune response and immune homeostasis in LN in an animal or a human.
• US8148546B2
  申请人：——

  公开号：US8148546B2

  公开（公告）日：2012-04-03