Ethyl 5-[(4-chlorophenyl)carbamoyloxy]-1-ethyl-2-methylindole-3-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Ethyl 5-[(4-chlorophenyl)carbamoyloxy]-1-ethyl-2-methylindole-3-carboxylate
• 化学式: C₂₁H₂₁ClN₂O₄
• 分子量: 400.9
• InChiKey: HYFVHTQICFQKRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS
  申请人：Boeckler Frank

  公开号：US20110059953A1

  公开（公告）日：2011-03-10

  Compounds of formula (I): wherein X is selected from CR X and N; R N1 is selected from H and C 1-4 alkyl, which may be substituted by SH or halo; R G1 is selected from H and SH; R C2 is selected from H and optionally substituted C 1-7 alkyl; R C3 is selected from H and optionally substituted C 1-7 alkyl; R x is selected from H, OH and NH 2 ; R C4 is selected from: (i) an optionally substituted C 3-12 N-containing heterocyclyl; (ii) C(═O)NR N5 R N6 , where R N5 and R N6 are independently selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl or RN5 and RN6 and the nitrogen atom to which they are attached form an optionally substituted N-containing C 5-7 heterocyclyl group; (iii) C(═O)OR O1 , where R O1 is selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl; (iv) C(═O)NHNHSO 2 R S1 , where R S1 is selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl; (v) OC(═O)RC8, where RC8 is selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl; (vi) OC(═O)NR N7 R N8 , where R N7 and R N8 are independently selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl or R N7 and R N8 and the nitrogen atom to which they are attached form an optionally substituted N-containing C 5-7 heterocyclyl group; and (vii) C(═O)CH 2 NH C(═O)NHNH 2 , CHC(CN) 2 , CHC(CN)C(═O)NH 2 , and carboxy; R C5 is selected from H, OH and NH 2 ; or R C4 and R C5 together with the carbon atoms to which they are bound form an optionally substituted aromatic ring containing either 5 or 6 ring atoms, of formula: where Q represents O, N, or CR Q1 ═CR Q2 , where R Q1 and R Q2 are independently selected from H, OH and NH 2 ; R C6 is selected from H, OH and NH 2 ; and R C7 is selected from optionally substituted C3_12 N-containing heterocyclyl, NHC(═O)R C9 , CH 2 NR N2 R N3 and NHC(═S)NHR N4 , where R C9 is selected from optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl, R N2 and R N3 are independently selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl or R N2 and R N3 and the nitrogen atom to which they are attached form an optionally substituted N-containing C 5-7 heterocyclyl group, and R N4 is selected from optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl, and when R C4 and R C5 are not bound together, R C3 may additionally be selected from OR 02 , where R O2 is a C 1-4 alkyl group, and C(═O)OR O3 , where R O3 is a C 1-4 alkyl group and R C2 may additionally be selected from halo, for use in stabilising a p53 protein carrying a Y220C mutation.
• [EN] COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS<br/>[FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LA STABILISATION DES MUTANTS P53
  申请人：MEDICAL RES COUNCIL

  公开号：WO2009136175A1

  公开（公告）日：2009-11-12

  Compounds of formula (I): wherein X is selected from CRX and N; RN1 is selected from H and C1-4 alkyl, which may be substituted by SH or halo; RG1 is selected from H and SH; RC2 is selected from H and optionally substituted C1-7 alkyl; RC3 is selected from H and optionally substituted C1-7 alkyl; Rx is selected from H, OH and NH2; RC4 is selected from: (i) an optionally substituted C3-12 N-containing heterocyclyl; (ii) C(=O)NRN5RN6, where RN5 and RN6 are independently selected from H, optionally substituted C1-7 alkyl, optionally substituted C3-20 heterocyclyl and optionally substituted C5-20 aryl or RN5 and RN6 and the nitrogen atom to which they are attached form an optionally substituted N-containing C5-7 heterocyclyl group; (iii) C(=O)ORO1, where RO1 is selected from H, optionally substituted C1-7 alkyl, optionally substituted C3-20 heterocyclyl and optionally substituted C5-20 aryl; (iv) C(=O)NHNHSO2RS1, where RS1 is selected from H, optionally substituted C1-7 alkyl, optionally substituted C3-20 heterocyclyl and optionally substituted C5-20 aryl; (v) OC(=O)RC8, where RC8 is selected from H, optionally substituted C1-7 alkyl, optionally substituted C3-20 heterocyclyl and optionally substituted C5-20 aryl; (vi) OC(=O)NRN7RN8, where RN7 and RN8 are independently selected from H, optionally substituted C1-7 alkyl, optionally substituted C3-20 heterocyclyl and optionally substituted C5-20 aryl or RN7 and RN8 and the nitrogen atom to which they are attached form an optionally substituted N-containing C5-7 heterocyclyl group; and (vii) C(=O)CH2NH C(=O)NHNH2, CHC(CN)2, CHC(CN)C(=O)NH2, and carboxy; RC5 is selected from H, OH and NH2; or RC4 and RC5 together with the carbon atoms to which they are bound form an optionally substituted aromatic ring containing either 5 or 6 ring atoms, of formula: where Q represents O, N, or CRQ1=CRQ2, where RQ1 and RQ2 are independently selected from H, OH and NH2; RC6 is selected from H, OH and NH2; and RC7 is selected from optionally substituted C3-12 N-containing heterocyclyl, NHC(=O)RC9, CH2NRN2RN3 and NHC(=S)NHRN4, where RC9 is selected from optionally substituted C1-7 alkyl, optionally substituted C3-20 heterocyclyl and optionally substituted C5-20 aryl, RN2 and RN3 are independently selected from H, optionally substituted C1-7 alkyl, optionally substituted C3-20 heterocyclyl and optionally substituted C5-20 aryl or RN2 and RN3 and the nitrogen atom to which they are attached form an optionally substituted N-containing C5-7 heterocyclyl group, and RN4 is selected from optionally substituted C1-7 alkyl, optionally substituted C3-20 heterocyclyl and optionally substituted C5-20 aryl, and when RC4 and RC5 are not bound together, RC3 may additionally be selected from OR02, where RO2 is a C1-4 alkyl group, and C(=O)ORO3, where RO3 is a C1-4 alkyl group and RC2 may additionally be selected from halo, for use in stabilising a p53 protein carrying a Y220C mutation.