(E)-3-(4-methoxyphenyl)-1-(5-hydroxybenzo[d][1,3]oxathiol-4-yl)prop-2-en-1-one | 1262428-65-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-(4-methoxyphenyl)-1-(5-hydroxybenzo[d][1,3]oxathiol-4-yl)prop-2-en-1-one
• 英文别名: (E)-1-(5-hydroxy-1,3-benzoxathiol-4-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
• CAS: 1262428-65-8
• 化学式: C₁₇H₁₄O₄S
• 分子量: 314.362
• InChiKey: KUFRMKWCODBLHS-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY<br/>[FR] NOUVEAUX DÉRIVÉS DE CHALCONE PRÉSENTANT UNE ACTIVITÉ CYTOTOXIQUE
  申请人：ADAMED SP ZOO

  公开号：WO2011009826A2

  公开（公告）日：2011-01-27

  Chalcone derivatives of the general formula (I), wherein two from among A, B and Z which are adjacent to each other are linked and form a moiety selected from -O-(CH2)n-S(O)m-, -S(O)m-(CH2)n-O- and -O-(CH2)n-O-, and the remaining one from among A, B and Z is H; or two from among A, B and Z, independently from each other, are selected from a group consisting of OH, -O-C1-C6-alkyl and -S(O)m-C1-C6-alkyl, and the remaining one from among A, B and Z is H; R is H, C1-C6-alkyl, carboxy-C1-C6-alkyl, -(CH2)P- NR1R2 or O(CH2)3NH(CO)CF3, where R1 and R2 both independently are C1-C6-alkyl; or R1 and R2 are linked together to form polymethylene group -(CH2)q-, and with N atom, to which they are attached, form a 5- or 6-membered ring, in which one of carbon atoms may be optionally replaced with O, N, or S; Y is -CH=CH-, -O-, -S- or -CH=N-; X1, X2, X3 independently are H, halogen atom, OH, -C1-C6-alkoxy, carboxy-C1-C6-alkoxyl, di(C1-C6- alkyl)amino-C1-C6-alkoxy, -0-PO(OH)2, NO2 or NH2; m = O, 1 or 2; n = 1 or 2; p = 2 to 6; q = 4 or 5; and acid addition salts, salts with bases and C1-C6-alkyl esters thereof. The compounds may be useful as cytotoxic drugs for the treatment of neoplastic diseases. Formula (I).