2--aethanthiol | 89854-46-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2--aethanthiol
• 英文别名: 2-(7(9)H-purin-6-ylamino)-ethanethiol；2-(7H-purin-6-ylamino)ethanethiol
• CAS: 89854-46-6
• 化学式: C₇H₉N₅S
• 分子量: 195.248
• InChiKey: WVWJJXUIDDQMOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  67.5
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Macrolides with antibacterial activity
  申请人：——

  公开号：US20030212011A1

  公开（公告）日：2003-11-13

  The invention provides new macrolides antibiotics of formula I with improved biological properties and having the formula 1 wherein R 1 , R 2 and R 3 are as herein described.

  这项发明提供了具有改进生物学性质的新的式I的大环内酯类抗生素，并具有式1，其中R1、R2和R3如本文所述。
• MACROLIDES WITH ANTIBACTERIAL ACTIVITY
  申请人：Basilea Pharmaceutica AG

  公开号：EP1478653A1

  公开（公告）日：2004-11-24
• 抗菌活性を有するマクロライド
  申请人：バジリア ファルマスーチカ アーゲー

  公开号：JP4603265B2

  公开（公告）日：2005-09-02
• US6995143B2
  申请人：——

  公开号：US6995143B2

  公开（公告）日：2006-02-07
• [EN] MACROLIDES WITH ANTIBACTERIAL ACTIVITY<br/>[FR] MACROLIDES A ACTIVITE ANTIBACTERIENNE
  申请人：BASILEA PHARMACEUTICA AG

  公开号：WO2003072588A1

  公开（公告）日：2003-09-04

  The invention provides new macrolides antibiotics of formula I with improved biological properties, wherein R1 is hydrogen, cyano or a residue -Y-X-Q; Y is S, SO, S02, NH, NCH3, CH20, CH2NH, CH2N(CH3) or CO; X is a bond or a linear group with up to 9 atoms consisting of C, N, O and/or S, of which up to 2 atoms can be N, one atom can be O or S, one carbon atom can appear as a CO group, one sulphur atom can appear as an SO2 group and two adjacent C atoms can be present as -CH=CH- or -C=-C-; Q is hydrogen, alkyl, heterocyclyl or aryl, which heterocyclyl and aryl groups maybe further substituted; R2 is hydrogen or fluorine; R3 is methyl, -(CH2)3-R5, -CH2CH=CH-R5 or -CH2=C- R5; R5 is heterocyclyl or aryl, which heterocyclyl and aryl groups may be further substituted; Z is O or NOR 4; R4 is hydrogen, alkyl, heterocyclyl, aryl, heterocyclyl alkyl or aralkyl; indicates a chiral centre which is in the (R) or (S) form, i.e. including diastereomeric mixtures and separate stereomeric forms, and pharmaceutically acceptable acid addition salts or in vivo cleavable esters thereof, provided that not simultaneously R2 is hydrogen, R3 is methyl and Z is O when simultaneously Rl is hydrogen, cyano, -S(L)mR6, -S(O)(L)mR6, or -S(O)2(L)mR6; L represents -(CH2)n- or -(CH2)nZl(CH2)n-; m is 0 or 1; n is 1, 2, 3, or 4; n' is 0, 1, 2, 3, or 4; Zl is O, S or NH; and R6 is hydrogen, alkyl, heterocyclyl or aryl; which heterocyclyl and aryl groups maybe further substituted.