(9H-fluoren-9-yl)methyl 2-(chlorocarbonyl)-2-ethylhydrazinecarboxylate | 1134777-68-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (9H-fluoren-9-yl)methyl 2-(chlorocarbonyl)-2-ethylhydrazinecarboxylate
• 英文别名: 9H-fluoren-9-ylmethyl N-[carbonochloridoyl(ethyl)amino]carbamate
• CAS: 1134777-68-6
• 化学式: C₁₈H₁₇ClN₂O₃
• 分子量: 344.798
• InChiKey: PEPDZZDBLHPALA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 (9H-fluoren-9-yl)methyl 2-(chlorocarbonyl)-2-ethylhydrazinecarboxylate 在 2,3,4-三甲基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 3-chloro-4-[(1R)-1-[[ethyl-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]carbamoyl]amino]ethyl]benzoic acid
  参考文献：
  名称：

  [EN] SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTE DE FAIBLE MASSE MOLÉCULAIRE DU RÉCEPTEUR B1 DE LA BRADYKININE

  摘要：

  公开号：

  WO2009036996A3
• 作为产物：
  描述：

  光气 、 N-fluorenylmethyloxycarbonyl-N'-ethylhydrazine 以 二氯甲烷 、 甲苯 为溶剂， 反应 0.5h， 生成 (9H-fluoren-9-yl)methyl 2-(chlorocarbonyl)-2-ethylhydrazinecarboxylate
  参考文献：
  名称：

  [EN] SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTE DE FAIBLE MASSE MOLÉCULAIRE DU RÉCEPTEUR B1 DE LA BRADYKININE

  摘要：

  公开号：

  WO2009036996A3

文献信息

• SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS
  申请人：Jerini AG

  公开号：EP2195288A2

  公开（公告）日：2010-06-16
• [EN] SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS<br/>[FR] PETITES MOLÉCULES ANTAGONISTES DU RÉCEPTEUR B1 DE LA BRADYKININE
  申请人：JERINI AG

  公开号：WO2010091876A2

  公开（公告）日：2010-08-19

  The present invention is related to a compound of the formula (I): or a pharmacologically acceptable salt, solvate or hydrate thereof, wherein A is formula (II) (III) (IV), X is Ch or N; R1, R2, R3, R4, R6, R7, and R8 are each and independently of each other selected from hydrogen atom, halogen atom, hydroxy, cyano, amino, alkyl, or optionally substituted heteroalkyl; R5 is a halogen atom, hydroxy, cyano, amino, an alkyl, an optionally substituted heteroalkyl, an optionally substituted cycloalkyl, an optionally substituted heterocycloalkyl, an optionally substituted alkylcycloalkyl, an optionally substituted heteroalkylcycloalkyl, an optionally substituted aryl, an optionally substituted heteroaryl, an optionally substituted aralkyl, or an optionally substituted heteroaralkyl; R9 is a hydrogen atom, an alkyl, or a heteroalkyl; R10 is a hydrogen atom, an alkyl, an optionally substituted heteroalkyl, an optionally substituted cycloalkyl, an optionally substituted heterocycloalkyl, an optionally substituted aralkyl, or an optionally substituted heteroaralkyl; R11 is an alkyl, an optionally substituted heteroalkyl, an optionally substituted cycloalkyl, an optionally substituted heterocycloalkyl, an optionally substituted alkylcycloalkyl, an optionally substituted heteroalkylcycloalkyl, an optionally substituted aryl, an optionally substituted heteroaryl, an optionally substituted aralkyl, or an optionally substituted heteroaralkyl; R12 is a hydrogen atom, an alkyl, an optionally substituted heteroalkyl, an optionally substituted cycloalkyl, an optionally substituted heterocycloalkyl, an optionally substituted aryl, an optionally substituted aralkyl, or an optionally substituted heteroaralkyl; B is O or N; Z1 and Z2 are each and independently of each other selected from C or N, and Z3 and Z4 are each and independently of each other selected from C, S, O or N; R13 is an alkyl, an optionally substituted heteroalkyl, an optionally substituted cycloalkyl, an optionally substituted heterocycloalkyl, an optionally substituted alkylcycloalkyl, an optionally substituted heteroalkylcycloalkyl, an optionally substituted aryl, an optionally substituted heteroaryl, an optionally substituted aralkyl, or an optionally substituted heteroaralkyl; R14 and R15, if present, are (i) each and independently of each other selected from hydrogen atom, halogen atom, CN, hydroxy, =O, alkyl, C3-C6-cycloalkyl, heteroalkyl or alkoxy; or (ii) joined together to form a carbocyclic or heterocyclic 5- or 6-membered ring, which is substituted with 0 to 4 substituents selected from the group comprising R16, R17, R18 and R19, and is saturated, unsaturated, or aromatic, and, if heterocyclic, contains one or more heteroatom(s) each and independently selected from N, O and S; and R16, R17, R18 and R19 are individually and independently selected from hydrogen atom, halogen atom, hydroxy, cyano, amino, alkyl, and optionally substituted heteroalkyl.