(2S,6RS)-2-Methyl-6-(tert-butyl-diphenylsilyloxy)-heptanal | 220774-16-3

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: (2S,6RS)-2-Methyl-6-(tert-butyl-diphenylsilyloxy)-heptanal
• 英文别名: (2S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylheptanal
• CAS: 220774-16-3
• 化学式: C₂₄H₃₄O₂Si
• 分子量: 382.618
• InChiKey: CDBQBVSZTULEEL-BGERDNNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.96
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2S,6RS)-2-Methyl-6-(tert-butyl-diphenylsilyloxy)-heptanal 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.25h， 以38%的产率得到(4S(4R,5S,6S,10RS))-4-(5-hydroxy-2,6-dimethyl-3-oxo-4-(4-(trimethylsilyl)-but-3-in-1-yl)-10-[[diphenyl(1,1-dimethylethyl)silyl]oxy]-undec-2-yl)-2,2-dimethyl-[1,3]dioxane
  参考文献：
  名称：

  6-Alkenyl-, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations

  摘要：

  该发明描述了通式(I)中的新6-烯基-和6-炔基-epothilone衍生物，其中R1a、R1b、R2b、R3a、R3b、R4、R5、R6、R7、A、Y、D、E、G、Y和Z具有说明中指示的含义。这些新化合物通过稳定形成的微管蛋白质与微管结合。它们能够以特定阶段的方式影响细胞分裂，因此可用于治疗与细胞生长、分裂和/或增殖需求相关的疾病或状况。因此，这些化合物适用于治疗恶性肿瘤，例如卵巢、胃、结肠、腺癌、乳腺、肺、头颈癌、恶性黑色素瘤、急性淋巴细胞和骨髓性白血病。此外，它们也适用于抗血管生成治疗以及慢性炎症性疾病的治疗（如牛皮癣、关节炎）。还描述了这些化合物的使用方法和制备方法。

  公开号：

  US20050113429A1

文献信息

• 6-Alkenyl-, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations
  申请人：Klar Ulrich

  公开号：US20050113429A1

  公开（公告）日：2005-05-26

  This invention describes the new 6-alkenyl- and 6-alkinyl-epothilone derivatives of general formula (I) in which R 1a , R 1b , R 2b , R 3a , R 3b , R 4 , R 5 , R 6 , R 7 , A, Y, D, E, G, Y and Z have the meanings that are indicated in the description. The new compounds interact with tubulin by stabilizing microtubuli that are formed. They are able to influence the cell-splitting in a phase-specific manner and thus find use in treating diseases or conditions associated with the need for cell growth, division and/or proliferation. Thus the compounds are suitable for treating malignant tumors, for example, ovarian, stomach, colon, adeno-, breast, lung, head and neck carcinomas, malignant melanoma, acute lymphocytic and myelocytic leukemia. In addition, they are suitable for anti-angiogenesis therapy as well as for treatment of chronic inflammatory diseases (such as psoriasis, arthritis). Methods of use and preparation of the compounds are also described.

  该发明描述了通式(I)中的新6-烯基-和6-炔基-epothilone衍生物，其中R1a、R1b、R2b、R3a、R3b、R4、R5、R6、R7、A、Y、D、E、G、Y和Z具有说明中指示的含义。这些新化合物通过稳定形成的微管蛋白质与微管结合。它们能够以特定阶段的方式影响细胞分裂，因此可用于治疗与细胞生长、分裂和/或增殖需求相关的疾病或状况。因此，这些化合物适用于治疗恶性肿瘤，例如卵巢、胃、结肠、腺癌、乳腺、肺、头颈癌、恶性黑色素瘤、急性淋巴细胞和骨髓性白血病。此外，它们也适用于抗血管生成治疗以及慢性炎症性疾病的治疗（如牛皮癣、关节炎）。还描述了这些化合物的使用方法和制备方法。
• 6-Alkenyl -, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations
  申请人：Klar Ulrich

  公开号：US20060046997A1

  公开（公告）日：2006-03-02

  This invention describes the new 6-alkenyl- and 6-alkinyl-epothilone derivatives of general formula (I) in which R 1a , R 1b , R 2a , R 3a , R 3b , R 4 , R 5 , R 6 , R 7 , A, Y, D, E, G, Y and Z have the meanings that are indicated in the description. The new compounds interact with tubulin by stabilizing microtubuli that are formed. They are able to influence the cell-splitting in a phase-specific manner and thus find use in treating diseases or conditions associated with the need for cell growth, division and/or proliferation. Thus the compounds are suitable for treating malignant tumors, for example, ovarian, stomach, colon, adeno-, breast, lung, head and neck carcinomas, malignant melanoma, acute lymphocytic and myelocytic leukemia. In addition, they are suitable for anti-angiogenesis therapy as well as for treatment of chronic inflammatory diseases (such as psoriasis, arthritis). Methods of use and preparation of the compounds are also described.

  该发明描述了新的6-烯基和6-炔基-依托酮衍生物，其一般式为（I），其中R1a、R1b、R2a、R3a、R3b、R4、R5、R6、R7、A、Y、D、E、G、Y和Z的含义如描述中所示。这些新化合物通过稳定形成的微管蛋白质与微管相互作用。它们能够以特定于阶段的方式影响细胞分裂，因此可用于治疗与细胞生长、分裂和/或增殖需求相关的疾病或症状。因此，这些化合物适用于治疗恶性肿瘤，例如卵巢、胃、结肠、腺癌、乳腺癌、肺癌、头颈癌、恶性黑色素瘤、急性淋巴细胞白血病和骨髓性白血病。此外，它们也适用于抗血管生成治疗以及慢性炎症性疾病（如牛皮癣、关节炎）的治疗。该文还描述了这些化合物的使用方法和制备方法。