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(2R)-2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-sulfopropanoic acid

中文名称
——
中文别名
——
英文名称
(2R)-2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-sulfopropanoic acid
英文别名
——
(2R)-2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-sulfopropanoic acid化学式
CAS
——
化学式
C23H33NO6S
mdl
——
分子量
451.6
InChiKey
LVHKFAWUQFMPSJ-OFRYMSBASA-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):
    4.6
  • 重原子数:
    31
  • 可旋转键数:
    9
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.48
  • 拓扑面积:
    129
  • 氢给体数:
    3
  • 氢受体数:
    6

文献信息

  • Therapeutic compounds
    申请人:——
    公开号:US20040048923A1
    公开(公告)日:2004-03-11
    A group of new compounds, N-(all-trans-Retinoyl)-L-cysteic acid, N-(13-cis-Retinoyl)-L-cysteic acid, N-(all-trans-Retinoyl)-L-cysteinesulfinic acid, N-(13-cis-Retinoyl)-L-cysteinesulfinic acid, N-(all-trans-Retinoyl)-L-homocysteic acid, N-(13-cis-Retinoyl)-L-homocysteic acid, and sodium salts of these compounds, including sodium salts of their esters and amides, is shown to exhibit therapeutic effects per se, and which compounds in combination with cytotoxic compounds, such as docetaxel, paclitaxel, doxorubicin and mitoxantrone, exhibit a synergistic effect. These compounds make it possible to manufacture new formulations of poorly soluble pharmaceutical compounds, and the present invention discloses a process of manufacturing water-soluble formulations of such compounds, exemplified by docetaxel, and paclitaxel, exhibiting enhanced pharmacological activity, and formulations of water-soluble pharmaceuticals exemplified by doxorubicin and mitoxantrone, exhibiting improved therapeutic efficacy.
    一组新化合物,N-(全反式视黄醛)-L-半胱氨酸酸,N-(13-顺式视黄醛)-L-半胱氨酸酸,N-(全反式视黄醛)-L-半胱氨酸亚磺酸,N-(13-顺式视黄醛)-L-半胱氨酸亚磺酸,N-(全反式视黄醛)-L-同型半胱氨酸,N-(13-顺式视黄醛)-L-同型半胱氨酸,以及这些化合物的钠盐,包括它们的酯和酰胺的钠盐,被证明本身具有治疗效果,并且这些化合物与细胞毒性化合物(如多西紫杉醇、紫杉醇、阿霉素和米托蒽醌)结合时表现出协同作用。这些化合物使得可以制造新的难溶性药物化合物的制剂,本发明揭示了一种制造这些化合物的水溶性制剂的过程,以多西紫杉醇和紫杉醇为例,表现出增强的药理活性,以阿霉素和米托蒽醌为例的水溶性药物制剂,表现出改善的治疗功效。
  • Novel potentiating compounds
    申请人:——
    公开号:US20030050343A1
    公开(公告)日:2003-03-13
    This invention relates to novel compounds, capable of potentiating the efficacy of therapeutically active compounds, for example cytotoxic compounds used in the treatment of cancer. The novel compounds have been shown to increase the pharmacological activity of a conventional paclitaxel formulation and to make it possible to manufacture a new formulation of paclitaxel, exhibiting improved solubility, improved storage properties, and increased therapeutic efficacy as shown in the enclosed examples.
    这项发明涉及新型化合物,能够增强治疗活性化合物的功效,例如在癌症治疗中使用的细胞毒性化合物。这些新型化合物已被证明能够增加传统紫杉醇配方的药理活性,并使得制造一种新的紫杉醇配方成为可能,该配方展示出改善的溶解性、改善的存储性能和增强的治疗功效,正如所示的示例中。
  • Method for the synthesis of the sodium salt of retinoyl-cysteic acid and retinoyl-cysteine sulfinic acid
    申请人:Ardenia Investments Ltd.
    公开号:EP1826198A1
    公开(公告)日:2007-08-29
    This invention relates to the synthesis of sodium salts of retinoyls derivatives, capable of potentiating the efficacy of therapeutically active compounds, for example cytotoxic compounds used in the treatment of cancer. These compounds have been shown to increase the pharmacological activity of a conventional paclitaxel formulation and to make it possible to manufacture a new formulation of paclitaxel, exhibiting improved solubility, improved storage properties, and increased therapeutic efficacy as shown in the enclosed examples.
    本发明涉及视黄醇衍生物钠盐的合成,视黄醇衍生物钠盐能够增强治疗活性化合物的疗效,例如用于治疗癌症的细胞毒性化合物。这些化合物已被证明能提高传统紫杉醇制剂的药理活性,并能制造出一种新的紫杉醇制剂,如所附实例所示,该制剂具有更好的溶解性、更好的储存性能和更高的疗效。
  • RETINOL DERIVATIVES POTENTIATION OF ACTIVE SUBSTANCES BY MICELLAR PREPARATION
    申请人:Ardenia Investments Ltd.
    公开号:EP1387844A1
    公开(公告)日:2004-02-11
  • RETINOL DERIVATIVES, THEIR USE IN THE TREATMENT OF CANCER AND FOR POTENTIATING THE EFFICACY OF OTHER CYTOTOXIC AGENTS
    申请人:Ardenia Investments Ltd.
    公开号:EP1534672B1
    公开(公告)日:2013-05-01
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