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S-(8-(4-(2-(5-acetylamino-2,2-dimethyl-1,3-dioxan-5-yl)ethyl)phenyl)octyl)ethanethioate | 896472-91-6

中文名称
——
中文别名
——
英文名称
S-(8-(4-(2-(5-acetylamino-2,2-dimethyl-1,3-dioxan-5-yl)ethyl)phenyl)octyl)ethanethioate
英文别名
——
S-(8-(4-(2-(5-acetylamino-2,2-dimethyl-1,3-dioxan-5-yl)ethyl)phenyl)octyl)ethanethioate化学式
CAS
896472-91-6
化学式
C26H41NO4S
mdl
——
分子量
463.682
InChiKey
UODGIBZRZVGVNU-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):
    5.44
  • 重原子数:
    32.0
  • 可旋转键数:
    13.0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.69
  • 拓扑面积:
    64.63
  • 氢给体数:
    1.0
  • 氢受体数:
    5.0

反应信息

  • 作为反应物:
    描述:
    S-(8-(4-(2-(5-acetylamino-2,2-dimethyl-1,3-dioxan-5-yl)ethyl)phenyl)octyl)ethanethioate盐酸 作用下, 以 乙醇 为溶剂, 反应 5.0h, 以62%的产率得到2-amino-2-(2-(4-(8-mercaptooctyl)phenyl)ethyl)propane-1,3-diol hydrochloride
    参考文献:
    名称:
    Preparation of antibodies against a novel immunosuppressant, FTY720, and development of an enzyme immunoassay for FTY720
    摘要:
    FTY720 (1) is a novel immunosuppressant (immunomodulator), derived from ISP-1 (2: myriocin and thermozymocidin). To clarify the pharmacokinetic properties of 1, antibodies against 1 were prepared and a competitive enzyme immunoassay (EIA) was developed. Two kinds of haptens, 3 and 4, for 1 were synthesized and coupled to ovalbumin (OVA). Rabbits were immunized with 3-OVA or 4-OVA, and corresponding antibodies were obtained. Both antibodies recognized the 2-amino-2-(2-phenylethyl)propane-1,3-diol moiety in 1. Using the anti-3-OVA antibody, a competitive EIA for 1 was developed and evaluated. The range of quantification by the EIA was 0.06-10 ng/mL. The application of the EIA has enabled us to measure the FTY720 concentration in serum after oral administration of I (I mg/kg) to rats. (c) 2006 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2006.01.071
  • 作为产物:
    描述:
    N-(2,2-dimethyl-5-(2-(4-(4-oxobutyl)phenyl)ethyl)-1,3-dioxan-5-yl)ethanamide 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 、 sodium hydride 、 三乙胺 作用下, 以 乙醚乙醇二氯甲烷乙酸乙酯N,N-二甲基甲酰胺 为溶剂, 反应 20.5h, 生成 S-(8-(4-(2-(5-acetylamino-2,2-dimethyl-1,3-dioxan-5-yl)ethyl)phenyl)octyl)ethanethioate
    参考文献:
    名称:
    Preparation of antibodies against a novel immunosuppressant, FTY720, and development of an enzyme immunoassay for FTY720
    摘要:
    FTY720 (1) is a novel immunosuppressant (immunomodulator), derived from ISP-1 (2: myriocin and thermozymocidin). To clarify the pharmacokinetic properties of 1, antibodies against 1 were prepared and a competitive enzyme immunoassay (EIA) was developed. Two kinds of haptens, 3 and 4, for 1 were synthesized and coupled to ovalbumin (OVA). Rabbits were immunized with 3-OVA or 4-OVA, and corresponding antibodies were obtained. Both antibodies recognized the 2-amino-2-(2-phenylethyl)propane-1,3-diol moiety in 1. Using the anti-3-OVA antibody, a competitive EIA for 1 was developed and evaluated. The range of quantification by the EIA was 0.06-10 ng/mL. The application of the EIA has enabled us to measure the FTY720 concentration in serum after oral administration of I (I mg/kg) to rats. (c) 2006 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2006.01.071
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