(2s,3r,4s)-6-Amino-4-[n-(4-chlorophenyl)-n-(2-methyl-2h-tetrazol-5-ylmethyl)amino]-3,4-dihydro-2-dimethoxymethyl-3-hydroxy-2-methyl-2h-1-benzopyran

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (2s,3r,4s)-6-Amino-4-[n-(4-chlorophenyl)-n-(2-methyl-2h-tetrazol-5-ylmethyl)amino]-3,4-dihydro-2-dimethoxymethyl-3-hydroxy-2-methyl-2h-1-benzopyran
• 英文别名: (2S,3R,4S)-6-amino-4-[4-chloro-N-[(2-methyltetrazol-5-yl)methyl]anilino]-2-(dimethoxymethyl)-2-methyl-3,4-dihydrochromen-3-ol
• 化学式: C₂₂H₂₇ClN₆O₄
• 分子量: 474.9
• InChiKey: URYBOPNIACOOED-VWPQPMDRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  9

ADMET

代谢

Schembl4023988 已知的人类代谢物包括 N-(4-氯苯基)-N-(2-甲基-2H-四唑-5-亚甲基)胺和羟基-KR-31543。

Schembl4023988 has known human metabolites that include N-(4-chlorophenyl)-N-(2-methyl-2H-tetrazol-5-ylmethyl)amine and hydroxy-KR-31543.

来源:NORMAN Suspect List Exchange

文献信息

• Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them
  申请人：Lim Hong

  公开号：US20060035948A1

  公开（公告）日：2006-02-16

  The present invention relates to benzopyran derivatives substituted with secondary amines including tetrazole, method for preparing thereof and pharmaceutical compositions containing them. The compounds of the present invention can be used for protecting neuronal cells and brain damage; antioxidation; inhibiting NO generation; protecting heart; suppressing angiogenesis; protecting preserving organs such as kidney, heart and tissue, and protecting organs in major cardiovascular surgery.

  本发明涉及用二级胺包括四唑取代的苯并吡喃衍生物，其制备方法以及含有它们的制药组合物。本发明的化合物可用于保护神经细胞和脑损伤；抗氧化；抑制NO生成；保护心脏；抑制血管生成；保护肾脏、心脏和组织等器官，并保护心血管手术中的器官。
• FMO3 inhibitors for treating pain
  申请人：Akron Molecules GmbH

  公开号：EP2674161A1

  公开（公告）日：2013-12-18

  The present invention relates to new therapies to treat pain and related diseases, as well as pharmaceutical compounds for use in said therapies.

  本发明涉及治疗疼痛和相关疾病的新疗法，以及用于上述疗法的药物化合物。
• BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Dongbu Hitek Co., Ltd.

  公开号：EP1499610B1

  公开（公告）日：2009-01-21
• Compounds and Methods for Treating Pain
  申请人：Penninger Josef

  公开号：US20130252924A1

  公开（公告）日：2013-09-26

  The present invention relates to new therapies to treat pain and related diseases, as well as pharmaceutical compounds for use in said therapies.
• COMPOUNDS AND METHODS FOR TREATING PAIN
  申请人：AKRON MOLECULES AG

  公开号：US20140349969A1

  公开（公告）日：2014-11-27

  The present invention relates to new therapies to treat pain and related diseases, as well as pharmaceutical compounds for use in said therapies.