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phosphono (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

中文名称
——
中文别名
——
英文名称
phosphono (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
英文别名
——
phosphono (2S)-2-(6-methoxynaphthalen-2-yl)propanoate化学式
CAS
——
化学式
C14H15O6P
mdl
——
分子量
310.24
InChiKey
ZYNQMTKEFVXJOC-VIFPVBQESA-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):
    1.5
  • 重原子数:
    21
  • 可旋转键数:
    5
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.21
  • 拓扑面积:
    93.1
  • 氢给体数:
    2
  • 氢受体数:
    6

文献信息

  • COMPOUNDS AND COMPOSITIONS FOR USE IN THE TREATMENT AND PREVENTION OF LUNG AND BRAIN CANCER AND PRECANCEROUS CONDITIONS THEREOF
    申请人:Medicon Pharmaceuticals, Inc.
    公开号:US20140178461A1
    公开(公告)日:2014-06-26
    Novel compounds and pharmaceutical compositions thereof administered by the respiratory route for prevention and/or treatment of lung and brain cancer and precancerous conditions thereof.
    通过呼吸道给予的新化合物和其制药组合物,用于预防和/或治疗肺癌、脑癌及其癌前状态。
  • COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF
    申请人:Rigas, Basil
    公开号:EP2897621A2
    公开(公告)日:2015-07-29
  • [EN] COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR UNE UTILISATION DANS LA PRÉVENTION ET LE TRAITEMENT DE TROUBLES ASSOCIÉS À L'INFLAMMATION, DE LA DOULEUR ET DE LA FIÈVRE, DE TROUBLES DE LA PEAU, DU CANCER ET D'ÉTATS PRÉCANCÉREUX DE CELUI-CI
    申请人:RIGAS BASIL
    公开号:WO2014047592A2
    公开(公告)日:2014-03-27
    The present invention provides novel compounds and pharmaceutical compositions for the prevention and/or treatment of cancer and precancerous conditions thereof, for the treatment of pain and fever, for the treatment of skin disorders, and for treating and/or preventing inflammation-related diseases and/or cardiovascular diseases. The compounds of the invention also have analgesic properties and anti¬ platelet properties. The compounds of the invention may be provided to animals, including mammals and humans, by administering a suitable pharmaceutical dose in a suitable pharmaceutical dosage form. The compounds of the invention have improved efficacy and safety, including higher potency and/or fewer or less severe side effects, than conventional therapies. The compounds of the invention comprise a biologically active moiety or portion (A) that has, or is modified to have at least one carboxyl group. The moiety A is preferably an aliphatic, aromatic or alkylaryl group, preferably derived from a non-steroidal anti-inflammatory drug or NSAID (A). The moiety A is bound to a linker moiety (B) via the carboxyl of group A and a linking atom that is selected from oxygen, nitrogen, and sulpher, to form a carboxylic ester, and amide, or a thioester, bond (X1) between groups A and B. Moiety B is a single bond, an aliphatic group, a substituted benzene, or an alkylene substituted hydrocarbon chain, which in turn is bound to functional moiety Z, which facilitates access of the compound into cells. The moiety Z can comprise, for example, a phosphorous-containing group, a nitrogen- containing group, or a folic acid residue.
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