benzyl (2R,3S)-3-[[(R)-tert-butylsulfinyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-pyridin-3-ylpropanoate | 1072203-27-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzyl (2R,3S)-3-[[(R)-tert-butylsulfinyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-pyridin-3-ylpropanoate
• CAS: 1072203-27-0
• 化学式: C₂₄H₃₂N₂O₆S
• 分子量: 476.594
• InChiKey: XHDBUAXPKMGCQC-HHNQAUGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  benzyl (2R,3S)-3-[[(R)-tert-butylsulfinyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-pyridin-3-ylpropanoate 在 间氯过氧苯甲酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 3′-N-tert-butylsulfonyl analogues of docetaxel

  摘要：

  Novel 3'-N-tert-butylsulfonyl analogues 10a-c of docetaxel were synthesized and their biological evaluation in cytotoxicity in vitro against several human tumor cell lines were presented. The biologically tested results showed that N-oxide pyridyl substituted 10b-c had potent cytotoxicities against human tumor cell lines Eca-109, SKOV3, SMMC-7721, HCT-8, PC3, MCF-7, HeLa and KB. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.101
• 作为产物：
  描述：

  、 O-Boc-α-hydroxyacetate 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 benzyl (2R,3S)-3-[[(R)-tert-butylsulfinyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-pyridin-3-ylpropanoate
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 3′-N-tert-butylsulfonyl analogues of docetaxel

  摘要：

  Novel 3'-N-tert-butylsulfonyl analogues 10a-c of docetaxel were synthesized and their biological evaluation in cytotoxicity in vitro against several human tumor cell lines were presented. The biologically tested results showed that N-oxide pyridyl substituted 10b-c had potent cytotoxicities against human tumor cell lines Eca-109, SKOV3, SMMC-7721, HCT-8, PC3, MCF-7, HeLa and KB. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.101

文献信息

• Synthesis and biological evaluation of novel 3′-N-tert-butylsulfonyl analogues of docetaxel
  作者：Bowen Ke、Yong Qin、Fengyan Zhao、Yi Qu

  DOI：10.1016/j.bmcl.2008.07.101

  日期：2008.9

  Novel 3'-N-tert-butylsulfonyl analogues 10a-c of docetaxel were synthesized and their biological evaluation in cytotoxicity in vitro against several human tumor cell lines were presented. The biologically tested results showed that N-oxide pyridyl substituted 10b-c had potent cytotoxicities against human tumor cell lines Eca-109, SKOV3, SMMC-7721, HCT-8, PC3, MCF-7, HeLa and KB. (C) 2008 Elsevier Ltd. All rights reserved.