1-[4-amino-3,5-dibromo-N-[[4-(3,4-dihydro-2(1H)-oxoquinazolin-3-yl)-1-piperidinyl]methylsulfonyliminomethyl]-D-phenylalanyl]-4-(1-piperidinyl)-piperidine | 291509-31-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-[4-amino-3,5-dibromo-N-[[4-(3,4-dihydro-2(1H)-oxoquinazolin-3-yl)-1-piperidinyl]methylsulfonyliminomethyl]-D-phenylalanyl]-4-(1-piperidinyl)-piperidine
• 英文别名: N'-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-N-methylsulfonyl-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboximidamide
• CAS: 291509-31-4
• 化学式: C₃₄H₄₆Br₂N₈O₄S
• 分子量: 822.664
• InChiKey: JEBSAHBPEUDTGM-SSEXGKCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  49
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  152
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-[4-amino-3,5-dibromo-N-[(phenoxy)methylsulfonyliminomethyl]-D-phenylalanyl]-4-(1-piperidinyl)-piperidine 、 2-戊醇 、 3-(哌啶-4-基)-3,4-二氢喹唑啉-2(1H)-酮 生成 1-[4-amino-3,5-dibromo-N-[[4-(3,4-dihydro-2(1H)-oxoquinazolin-3-yl)-1-piperidinyl]methylsulfonyliminomethyl]-D-phenylalanyl]-4-(1-piperidinyl)-piperidine
  参考文献：
  名称：

  Antagonists of calcitonin gene-related peptide

  摘要：

  式(I)的化合物，其中A、R、R1、R2、X1、X2、X3和Y的定义如本文所述，以及其互变异构体和药学上可接受的盐，包括含有这些化合物的药物组合物，以及它们在选择性拮抗降钙素基因相关肽（CGRP）和治疗或预防偏头痛或集群头痛、非胰岛素依赖型糖尿病、炎症、过敏性鼻炎、哮喘、吗啡耐受、绝经期潮热以及以过度血管扩张和随之血流减少为特征的疾病中的应用。

  公开号：

  US06313097B1

文献信息

• Use of CGRP antagonist compounds for treatment of psoriasis
  申请人：NEPSONE EHF

  公开号：US10668132B2

  公开（公告）日：2020-06-02

  A method for treating, remedying, or preventing psoriasis by administering a therapeutically effective dose of at least one CGRP antagonist compound in a pharmaceutically acceptable formulation. The method for treating, remedying, or preventing psoriasis by administering topically and to the pre-psoriatic rim a therapeutically effective dose of at least one CGRP antagonist compound in a pharmaceutically acceptable formulation.

  一种治疗、补救或预防银屑病的方法，通过给药治疗有效剂量的至少一种CGRP拮抗剂化合物的药学上可接受的制剂。一种治疗、补救或预防银屑病的方法，通过对银屑病前缘局部施用药学上可接受的制剂中至少一种CGRP拮抗剂化合物的治疗有效剂量。
• Methods of treating inflammatory skin disorders
  申请人：NEPSONE EHF

  公开号：US11266718B2

  公开（公告）日：2022-03-08

  A method for treating, remedying, or preventing inflammatory skin disorders by administering a therapeutically effective dose of at least one an antagonist of a calcitonin gene-related peptide receptor in a pharmaceutically acceptable formulation. The method for treating, remedying, or preventing an inflammatory skin disorder by administering topically and to the pre-psoriatic rim a therapeutically effective dose of at least one an antagonist of a calcitonin gene-related peptide receptor in a pharmaceutically acceptable formulation.

  一种治疗、补救或预防炎症性皮肤病的方法，通过在药学上可接受的制剂中给药治疗有效剂量的至少一种降钙素基因相关肽受体的拮抗剂。治疗、补救或预防炎症性皮肤病的方法，通过局部给药和给银屑病前边缘注射治疗有效剂量的至少一种降钙素基因相关肽受体拮抗剂，该拮抗剂为药学上可接受的制剂。
• ABGEWANDELTE AMINOSÄUREAMIDE ALS CGRP ANTAGONISTEN
  申请人：Boehringer Ingelheim Pharma GmbH & Co.KG

  公开号：EP1163239B1

  公开（公告）日：2003-05-28
• USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS
  申请人：Actavis Group hf.

  公开号：EP1556020B1

  公开（公告）日：2009-02-25
• METHODS OF TREATING INFLAMMATORY SKIN DISORDERS
  申请人：NEPSONE EHF

  公开号：US20200338169A1

  公开（公告）日：2020-10-29

  A method for treating, remedying, or preventing inflammatory skin disorders by administering a therapeutically effective dose of at least one an antagonist of a calcitonin gene-related peptide receptor in a pharmaceutically acceptable formulation. The method for treating, remedying, or preventing an inflammatory skin disorder by administering topically and to the pre-psoriatic rim a therapeutically effective dose of at least one an antagonist of a calcitonin gene-related peptide receptor in a pharmaceutically acceptable formulation.