(S)-2-[(5-bromo-pyrimidin-2-ylamino)-methyl]-piperidine-1-carboxylic acid tert butyl ester | 475106-05-9

• 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: (S)-2-[(5-bromo-pyrimidin-2-ylamino)-methyl]-piperidine-1-carboxylic acid tert butyl ester
• 英文别名: tert-butyl (2S)-2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
• CAS: 475106-05-9
• 化学式: C₁₅H₂₃BrN₄O₂
• 分子量: 371.277
• InChiKey: GJLDYVIUBFRGDC-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-2-[(5-bromo-pyrimidin-2-ylamino)-methyl]-piperidine-1-carboxylic acid tert butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 4.0h， 生成 (S)-(5-bromo-pyrimidin-2-yl)-piperidin-2-ylmethyl-amine dihydrochloride
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS
  [FR] NOUVEAUX COMPOSES

  摘要：

  这项发明涉及到式（I）的N-芳基磺酰环胺衍生物，以及它们作为促进睡眠的药物。

  公开号：

  WO2004041807A1
• 作为产物：
  描述：

  (S)-1-N-叔丁氧羰基-2-(氨基乙基)哌啶 、 5-溴-2-氯嘧啶 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 xylene 为溶剂， 反应 48.0h， 生成 (S)-2-[(5-bromo-pyrimidin-2-ylamino)-methyl]-piperidine-1-carboxylic acid tert butyl ester
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS
  [FR] NOUVEAUX COMPOSES

  摘要：

  这项发明涉及到式（I）的N-芳基磺酰环胺衍生物，以及它们作为促进睡眠的药物。

  公开号：

  WO2004041807A1

文献信息

• [EN] N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DERIVES D'AMINE CYCLIQUE N-AROYLE UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR D'OREXINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2003051368A1

  公开（公告）日：2003-06-26

  According to the invention there is provided compounds of formula (1): Wherein: X represents a bond, oxygen, NR3 or a group (CH2)n wherein n represents 1 of 2; Y represents =(CH2)qNHC(O), -(CH2)qO(CH2)p, -(CH2)qS(CH2)p, -(CH2)qC(O)(CH2)p, (CH2)qSO2(CH2)p, -(CH2)qCH=CH(CH2)p, -(CH2)pCH(OH)(CH2)p, -C(O), -(CH2)3,-(CH2)qNH, - (CH2)qNHCONK or -(CH2)qCONH; wherein q represents 1 or 2 and p represents 0 or 1; Ar1 represents a phenyl, naphthyl or 5 or 6 membered heteroaryl group containing up to 3 heteroatorns selected from N, O, and S, or a bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S any ofwhich can be optionally substituted; Ar2 represents an optionally substituted phenyl or a 5- or 6-membered'heteroaryl group containing up to 3 heteroatoms selected from N, O and S; Ar3 represents an optionally substituted R5.is-O (CH2)mNR1R2 Or (CH2)mNR1 R2 each of R1 and R2 independently represents a hydrogen atom or an optionally substituted (C1-6)alkyl group or R1 and R2 together with the nitrogen to which they are attached form part of a (C3-6)azacycloalkane or (C3-6)(2-oxo)azacycloalkane ring, or R1 with at least one CH2 of . the (CH2) m portion of the group form a (C3-6) azacycloalkane and R2 represents hydrogen, an optionally substituted (C1-6)alkyl group, piperidine, pyrrolidine, morpholine or with the nitrogen to which they are attached forms a second (C3-6)azacycloalkane fused to the first (C3-6)azacycloalkane; R3 represents hydrogen or optionally substituted (C1-6) alkyl; m represents an integer from '2 to 6; and Ar3 is attached to Ar2 ortho to the amide carbonyl group; The compounds of formula (I) and their pharmaceutically acceptable derivatives are useful for the treatment of diseases or disorders where an antagonist of a human orexin receptor is required
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：GLAXO GROUP LTD

  公开号：WO2004041807A1

  公开（公告）日：2004-05-21

  This invention relates to N-aryl sulphonyl cyclic amine derivatives of formula (I): and their use as orexin antagonists.

  这项发明涉及到式（I）的N-芳基磺酰环胺衍生物，以及它们作为促进睡眠的药物。