1-amino-3-methoxy-3-methylbutan-2-ol | 885032-36-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-amino-3-methoxy-3-methylbutan-2-ol
• CAS: 885032-36-0
• 化学式: C₆H₁₅NO₂
• mdl: MFCD19214647
• 分子量: 133.191
• InChiKey: PMSJZHAMUXSLDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-amino-3-methoxy-3-methylbutan-2-ol 在 重铬酸吡啶 、 三氟乙酸 、 mercury dichloride 作用下， 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 生成 tert-butyl (6S,9R)-6-(2,3-difluorophenyl)-3-(1-methoxy-1-methylethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-ylcarbamate
  参考文献：
  名称：

  Orally bioavailable imidazoazepanes as calcitonin gene-related peptide (CGRP) receptor antagonists: Discovery of MK-2918

  摘要：

  In our ongoing efforts to develop CGRP receptor antagonists for the treatment of migraine, we aimed to improve upon telecagepant by targeting a compound with a lower projected clinical dose. Imidazoazepanes were identified as potent caprolactam replacements and SAR of the imidazole yielded the tertiary methyl ether as an optimal substituent for potency and hERG selectivity. Combination with the azabenzoxazinone spiropiperidine ultimately led to preclinical candidate 30 (MK-2918). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.054

文献信息

• [EN] FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES AZAINDANE CARBOXAMIDES HÉTÉROCYCLIQUES FUSIONNÉS DE RÉCEPTEURS DU CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2013066360A1

  公开（公告）日：2013-05-10

  The present invention is directed to fused heterocyclic azaindane carboxamide derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及融合的杂环氮吲哚羧酰胺衍生物，其为CGRP受体拮抗剂，在治疗或预防涉及CGRP的疾病，如偏头痛方面有用。该发明还涉及包含这些化合物的药物组合物，以及在预防或治疗涉及CGRP的这类疾病中使用这些化合物和组合物。
• [EN] FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS DU CGRP INDANECARBOXAMIDES HÉTÉROCYCLIQUES CONDENSÉS
  申请人：MERCK SHARP & DOHME

  公开号：WO2012087777A1

  公开（公告）日：2012-06-28

  The present invention is directed to fused heterocyclic indane carboxamide derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及融合杂环茚甲酸酰胺衍生物，这些衍生物是CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及CGRP的这类疾病中使用这些化合物和组合物。
• Cgrp Receptor Antagonists
  申请人：Burgey Christopher S.

  公开号：US20080113966A1

  公开（公告）日：2008-05-15

  Compounds of Formula (I): and Formula (II): (where variables R 2 , R 4 , A, B, D, W, X, Y and Z are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  式(I)和式(II)的化合物(其中变量R2、R4、A、B、D、W、X、Y和Z的定义如本文所述)，可用作CGRP受体拮抗剂，用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和集群头痛。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物和组合物预防或治疗CGRP参与的这些疾病的用途。
• FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS
  申请人：Burgey Christopher S.

  公开号：US20130267541A1

  公开（公告）日：2013-10-10

  The present invention is directed to fused heterocyclic azaindane carboxamide derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及融合杂环的氮杂茚羧酰胺衍生物，其是CGRP受体的拮抗剂，可用于治疗或预防CGRP参与的疾病，如偏头痛。本发明还涉及包含这些化合物的制药组合物，以及使用这些化合物和组合物预防或治疗CGRP参与的这些疾病的用途。
• FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS
  申请人：Burgey Christopher S.

  公开号：US20130261138A1

  公开（公告）日：2013-10-03

  The present invention is directed to fused heterocyclic indane carboxamide derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及融合的杂环茚烷羧酰胺衍生物，其是CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗涉及CGRP的这种疾病中的使用。