4-phenyl-4-(1H-tetrazol-5-yl)-piperidine-1-carboxylic acid tertiary butyl ester

• 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: 4-phenyl-4-(1H-tetrazol-5-yl)-piperidine-1-carboxylic acid tertiary butyl ester
• 英文别名: 4-Phenyl-4-(1H-tetrazol-5-yl)-piperidine-1-carboxylic acid tert-butyl ester；4-phenyl-4-(1H-tetraazol-5-yl)piperidine-1-carboxylic acid tert-butyl ester；tertiary butyl 4-phenyl-4-(1H-tetrazol-5-yl)piperidine-1-carboxylate；tert-butyl 4-phenyl-4-(1H-tetrazol-5-yl)piperidine-1-carboxylate；tert-butyl 4-phenyl-4-(2H-tetrazol-5-yl)piperidine-1-carboxylate
• 化学式: C₁₇H₂₃N₅O₂
• 分子量: 329.402
• InChiKey: ZORHCOKHSBNQEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  84
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-phenyl-4-(1H-tetrazol-5-yl)-piperidine-1-carboxylic acid tertiary butyl ester 在 盐酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 4.17h， 生成 1-(4-phenyl-4-(1H-tetrazol-5-yl)piperidin-1-yl)prop-2-en-1-one
  参考文献：
  名称：

  Small-Molecule Inhibitors of the MLL1 CXXC Domain, an Epigenetic Reader of DNA Methylation

  摘要：

  DOI：

  10.1021/acsmedchemlett.2c00198
• 作为产物：
  描述：

  4-氰基-4-苯基哌啶-1-羧酸叔丁酯 在 sodium azide 、 三乙胺盐酸盐 作用下， 以 甲苯 为溶剂， 生成 4-phenyl-4-(1H-tetrazol-5-yl)-piperidine-1-carboxylic acid tertiary butyl ester
  参考文献：
  名称：

  Small-Molecule Inhibitors of the MLL1 CXXC Domain, an Epigenetic Reader of DNA Methylation

  摘要：

  DOI：

  10.1021/acsmedchemlett.2c00198

文献信息

• HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION
  申请人：Lloyd John

  公开号：US20090312307A1

  公开（公告）日：2009-12-17

  Novel heterocyclo compounds useful as inhibitors of potassium channel function (especially inhibitors of the K v 1 subfamily of voltage gated K + channels, especially inhibitors K v 1.5 which has been linked to the ultra-rapidly activating delayed rectifier K + current I Kur ), methods of using such compounds in the prevention and treatment of arrhythmia and I Kur -associated conditions, and pharmaceutical compositions containing such compounds.

  新型杂环化合物，可作为钾通道功能抑制剂使用（特别是Kv1亚家族电压门控K+通道的抑制剂，特别是与超快速激活延迟整流K+电流IKur相关的Kv1.5抑制剂），使用这种化合物预防和治疗心律失常和IKur相关疾病的方法，以及含有这种化合物的制药组合物。
• [EN] METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS<br/>[FR] PROCEDES D'ELABORATION DE COMPOSES DE 4-TETRAZOLYL-4-PHENYLPIPERIDINE
  申请人：EURO CELTIQUE SA

  公开号：WO2005075455A3

  公开（公告）日：2005-12-15
• METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS
  申请人：EURO-CELTIQUE S.A.

  公开号：EP1709029A2

  公开（公告）日：2006-10-11
• Methods for making 4-tetrazolyl-4-phenylpiperidine compounds
  申请人：Brown Kevin

  公开号：US20070072909A1

  公开（公告）日：2007-03-29

  Methods, composition, and intermediates are disclosed that are useful for making 4-Tetrazolyl-4-phenylpiperidine Compounds according to Formula I, where Ar 1 is —C 3 -C 8 cycloalkyl, phenyl, naphthyl, anthryl, phenanthryl or -(5-7-membered) heteroaryl, each being unsubstituted or substituted with one or more R 2 groups; Ar 2 is phenyl, naphthyl, anthryl, phenanthryl or -(5-7-membered) heteroaryl, each being unsubstituted or substituted with one or more R 2 groups; Z 1 and Z 2 are each independently a —(C 1 -C 4 alkyl) group; R 1 is —(CH 2 ) n C(O)N(R 3 )(R 4 ) where R 3 and R 4 are each independently H or —(C 1 -C 4 alkyl); R 2 is halogen, —C 1 -C 3 alkyl, —O—(C 1 -C 3 alkyl), —NH(C 1 -C 3 alkyl) or —N(C 1 -C 3 alkyl) 2 ; n is an integer ranging from 1 to 4; m is an integer ranging from 0 to 4; and, in certain embodiments, the phenyl moiety attached to the 4-position of the piperidine ring of a compound according to Formula I can be optionally substituted with one or more R 2 groups.
• US7557219B2
  申请人：——

  公开号：US7557219B2

  公开（公告）日：2009-07-07