2-(2-Acetylamino-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyl)-1-(2-{N-[(N-{2-[2-(2-propenyloxyethoxy)ethoxy]ethyl}carbamoyl) methyl]acetylamino}ethoxy)ethane | 403613-67-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2-Acetylamino-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyl)-1-(2-{N-[(N-{2-[2-(2-propenyloxyethoxy)ethoxy]ethyl}carbamoyl) methyl]acetylamino}ethoxy)ethane
• 英文别名: [(2R,3R,4R,5S,6R)-5-acetamido-6-[2-[2-[acetyl-[2-oxo-2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethylamino]ethyl]amino]ethoxy]ethyl]-3,4-diacetyloxyoxan-2-yl]methyl acetate
• CAS: 403613-67-2
• 化学式: C₃₁H₅₁N₃O₁₄
• 分子量: 689.758
• InChiKey: WAZZGEGVDASLSQ-XZSXWPNRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  48
• 可旋转键数：
  27
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  204
• 氢给体数：
  2
• 氢受体数：
  14

文献信息

• Non-mucin type synthetic compounds or its carrier conjugated compounds
  申请人：KOTOBUKI PHARMACEUTICAL CO., LTD.

  公开号：US20020107224A1

  公开（公告）日：2002-08-08

  The purposes of this invention are preparation of the non-mucin type synthetic compounds-carrier conjugated compounds which are stable against enzymes, and which have the ability of specific reactivity to induce immune response for cancer and HIV. A compound of the general formula (1), 1 wherein A represents OH or sialic acid and/or it's derivatives, and B represents OH or galactose and/or it's derivatives; T represents H or protecting groups of amine; M represents H or OH; X represents oxygen atom, —NH— or S(O)z (where z is 0, 1 or 2); Q is H or oxygen atom; V represents lower alkyl or H; W is straight or branched alkylene groups from 0 to 5; Z is straight or branched alkylene groups from 1 to 5; i, m, and t is 0 or 1; non-mucin type synthetic compounds or it's carrier conjugated compounds, which have above mentioned compounds as a core structure of antigen.

  该发明的目的是制备稳定于酶的非黏液型合成化合物-载体偶联化合物，具有特异性反应能力，诱导癌症和HIV免疫反应。通式（1）的化合物，其中A代表OH或唾液酸及其衍生物，B代表OH或半乳糖及其衍生物；T代表氨基的保护基或H；M代表OH或H；X代表氧原子，-NH-或S（O）z（其中z为0、1或2）；Q为H或氧原子；V代表较低的烷基或H；W为直链或支链的0至5个碳原子的烷基基团；Z为直链或支链的1至5个碳原子的烷基基团；i、m和t为0或1；非黏液型合成化合物或其载体偶联化合物，其具有上述化合物作为抗原的核心结构。