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2-(2,5-Dimethyl-phenoxy)-propionaldehyde | 53552-44-6

中文名称
——
中文别名
——
英文名称
2-(2,5-Dimethyl-phenoxy)-propionaldehyde
英文别名
2-(2,5-Dimethylphenoxy)propanal
2-(2,5-Dimethyl-phenoxy)-propionaldehyde化学式
CAS
53552-44-6
化学式
C11H14O2
mdl
——
分子量
178.231
InChiKey
NNXDRNYCUYARFT-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):
    2.6
  • 重原子数:
    13
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.36
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

反应信息

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文献信息

  • Methods of treating various diseases using carnitine conjugates as dual prodrugs
    申请人:Goel Om P.
    公开号:US20080188444A1
    公开(公告)日:2008-08-07
    The present invention discloses uses for treating various diseases with novel dual prodrug compounds of Formula 1, wherein A is selected from the group consisting of a single bond, —O—, or —CH 2 —; m and n vary independently and are an integer from 1 to 15; p and q vary independently from 0 to 1; B is —CR 3 R 4 ; D is selected from the group consisting of —CO 2 R 5 , —OR 6 , —OCOR 7 , —SO 3 R 8 , —SO 2 NH 2 , —OPO(OR 9 )(OR 10 ), —OPO(OR 9 )(NH 2 ), —OPO(OR 9 )—O—PO(OR 10 )(OR 11 ), wherein R 1 to R 4 are independently selected from C 1 -C 6 alkyl; and R 5 to R 11 are independently selected from the group consisting of hydrogen; C 1 -C 6 alkyl; C 3 -C 6 cycloalkyl; C 2 -C 6 alkenyl; C 6 alkynyl; C 5 -C 10 aryl unsubstituted or substituted with C 1 -C 6 alkyl, hydroxyl, C 1 -C 6 alkoxyl, 1,3-dioxolanyl, cyano, halo, nitro, trihaloalkyl, carboxyl, C 1 -C 6 acyl, C 1 -C 6 hydroxyalkyl, amino, C 1 -C 6 alkylamino, C 1 -C 6 dialkylamino, C 1 -C 6 acylamino, C 1 -C 6 alkoxylcarbonyl; C 5 -C 6 arylalkyl unsubstituted or substituted with C 1 -C 6 alkyl, hydroxyl, C 1 -C 6 alkoxyl, 1,3-dioxolanyl, cyano, halo, trihaloalkyl, carboxyl, C 1 -C 6 acyl, C 1 -C 6 hydroxyalkyl, amino, C 1 -C 6 alkylamino, C 1 -C 6 dialkylamino, C 1 -C 6 alkoxylcarbonyl; C 1 -C 6 carboxyalkyl; C 1 -C 6 acylamino; C 1 -C 6 sulfonatoalkyl; C 1 -C 6 sulfamylalkyl; and C 1 -C 6 phosphonatoalkyl. The various terms in Formula 1 are selected to optimize the physiochemical and biological properties such as, lipophilicity, bioavailability, and pharmacokinetics of compounds of Formula 1. There compounds are useful for the treatment of various metabolic, cardiovascular and neurological disorders.
  • US7345190B2
    申请人:——
    公开号:US7345190B2
    公开(公告)日:2008-03-18
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