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| 909301-41-3

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
909301-41-3
化学式
C21H29N3O6
mdl
——
分子量
419.478
InChiKey
CLISIVXFRQZBSI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.29
  • 重原子数:
    30.0
  • 可旋转键数:
    7.0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.52
  • 拓扑面积:
    125.04
  • 氢给体数:
    3.0
  • 氢受体数:
    5.0

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Derivatives of tetrahydroisoquinoline: Synthesis and initial evaluation of novel non-peptide antagonists of the αIIbβ3-integrin
    摘要:
    The novel RGDF mimetics were synthesized with the use of 4-(1,2,3,4-tetrahydroisoquinoline-7-yl)amino- 4-oxobutyric or 5-(1,2,3,4-tetrahydroisoquinoline-7-yl)amino-5-oxopentanoic acids as a surrogate of Arg-Gly motif. The synthesized compounds have demonstrated a high potency to inhibit platelet aggregation in vitro and to block FITC-Fg binding to alpha(IIb)beta(3) on washed human platelets. (C) 2010 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2010.06.051
  • 作为产物:
    描述:
    、 sodium hydroxide 作用下, 生成
    参考文献:
    名称:
    Derivatives of tetrahydroisoquinoline: Synthesis and initial evaluation of novel non-peptide antagonists of the αIIbβ3-integrin
    摘要:
    The novel RGDF mimetics were synthesized with the use of 4-(1,2,3,4-tetrahydroisoquinoline-7-yl)amino- 4-oxobutyric or 5-(1,2,3,4-tetrahydroisoquinoline-7-yl)amino-5-oxopentanoic acids as a surrogate of Arg-Gly motif. The synthesized compounds have demonstrated a high potency to inhibit platelet aggregation in vitro and to block FITC-Fg binding to alpha(IIb)beta(3) on washed human platelets. (C) 2010 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2010.06.051
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