3-[4-amino-6-(2-chloroacetyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propyl N-(4-aminobutyl)carbamate | 821794-97-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-[4-amino-6-(2-chloroacetyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propyl N-(4-aminobutyl)carbamate
• CAS: 821794-97-2
• 化学式: C₂₃H₂₉ClN₆O₃
• 分子量: 472.975
• InChiKey: MGPFCWVNJCAGEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-[4-amino-6-(2-chloroacetyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propyl N-(4-aminobutyl)carbamate 、 biotin N-hydroxysuccinimide ester 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以70%的产率得到3-[4-amino-6-(2-chloroacetyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propyl N-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]carbamate
  参考文献：
  名称：

  WO2007/38613

  摘要：

  公开号：
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-[4-amino-6-(2-chloroacetyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propyl N-(4-aminobutyl)carbamate
  参考文献：
  名称：

  WO2007/38613

  摘要：

  公开号：

文献信息

• Selective serine/threonine kinase inhibitors
  申请人：Taunton Jack

  公开号：US20070082884A1

  公开（公告）日：2007-04-12

  Inhibition of protein kinases having one or more cysteine residues within the ATP binding site is effected by contacting the kinase, per se or in a cell or subject, with an inhibitory-effective amount of a compound having a heterocyclic core structure comprised of two or more fused rings containing at least one nitrogen ring atom, and an electrophilic substituent that is capable of reacting with a cysteine residue within the ATP binding site of a kinase. Preferred compounds include certain pyrrolopyrimidines and oxindoles having such an electrophilic substituent and optionally an aromatic or heteroaromatic substituent that is capable of interacting with a threonine or smaller residue located in the gatekeeper position of the kinase. Kinases lacking such cysteine residues may be engineered or modified so that they are capable of being inhibited by such compounds by replacing a valine or other amino acid residue within the ATP binding site by a cysteine residue.
• SELECTIVE SERINE/THREONINE KINASE INHIBITORS
  申请人：Taunton Jack

  公开号：US20090221614A1

  公开（公告）日：2009-09-03

  Inhibition of protein kinases having one or more cysteine residues within the ATP binding site is effected by contacting the kinase, per se or in a cell or subject, with an inhibitory-effective amount of a compound having a heterocyclic core structure comprised of two or more fused rings containing at least one nitrogen ring atom, and an electrophilic substituent that is capable of reacting with a cysteine residue within the ATP binding site of a kinase. Preferred compounds include certain pyrrolopyrimidines and oxindoles having such an electrophilic substituent and optionally an aromatic or heteroaromatic substituent that is capable of interacting with a threonine or smaller residue located in the gatekeeper position of the kinase. Kinases lacking such cysteine residues may be engineered or modified so that they are capable of being inhibited by such compounds by replacing a valine or other amino acid residue within the ATP binding site by a cysteine residue.
• US7687506B2
  申请人：——

  公开号：US7687506B2

  公开（公告）日：2010-03-30
• US8034821B2
  申请人：——

  公开号：US8034821B2

  公开（公告）日：2011-10-11
• US8748601B2
  申请人：——

  公开号：US8748601B2

  公开（公告）日：2014-06-10