2-[[(Benz[a]anthracen-7-yl)methyl]amino]-2-methyl-1,3-propanediol methanesulfonate | 104500-07-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-[[(Benz[a]anthracen-7-yl)methyl]amino]-2-methyl-1,3-propanediol methanesulfonate
• 英文别名: 2-((Benz(a)anthracen-7-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate；2-(benzo[a]anthracen-7-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
• CAS: 104500-07-4
• 化学式: CH₄O₃S*C₂₃H₂₃NO₂
• 分子量: 441.548
• InChiKey: ILCSXLQSNFIULT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氨基-2-甲基-1,3-丙二醇 生成 2-[[(Benz[a]anthracen-7-yl)methyl]amino]-2-methyl-1,3-propanediol methanesulfonate
  参考文献：
  名称：

  BAIR, KENNETH W.

  摘要：

  DOI：

文献信息

• Polycyclic biocidal compounds, their synthesis, formulations containing them
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0182609A2

  公开（公告）日：1986-05-28

  The invention relates to biocidal compounds of the formula RCH2NHR1 or monomethyl or monoethyl ethers thereof, the compounds including the said ethers containing no more than 30 carbon atoms in total; esters thereof; salts thereof; wherein R = C15-22 carbocyclic fused ring system containing 3-5 aromatic rings optionally substituted by 1-2 substituents, said substituents (containing ≤ 4 carbon atoms in total) being halogen; cyano; C1-4 alkyl or C1-4 alkoxy, each optionally substituted by OH or C1-2 alkoxy; halogen substituted C1-2 alkyl or C1-2 alkoxy; S(O)nR2 n = 0-2 and R2 is C1-2 alkyl optionally substituted by OH or C1-2 alkoxy; or R is optionally substituted by NR3R4 (which contains ≤ 5 carbons) wherein R3 and R4 = C1 3 alkyl group or NR3R4 forms a 5- or 6- membered heterocyclic ring optionally containing 1-2 additional heteroatoms; R1 contains ≤ 8 carbons and is wherein m is 0 or 1; R5 and R6 = H or C1-5 alkyl optionally substituted by OH; R7 and R8 = H, C1-3 alkyl; -C-C-is a five-or-six-membered saturated carbocyclic ring; R9 is H, CH3 or CH2OH; R10, R11 and R12 = H or CH3; R13 = H, CH3, OH or CH20H with the proviso that R is not substituted or unsubstituted perylene, fluoranthene, chrysene, pyrene or triphenylene. Also disclosed are formations containing the compounds, methods for their preparation, chemical intermediates in their preparation and the use of the compounds in the treatment of tumors and as antipathogenic agents particularly antifungal agents.

  本发明涉及公式RCH2NHR1或其单甲基或单乙基醚的生物杀菌化合物，所述化合物包括所述醚，总共不含超过30个碳原子; 酯化物; 盐; 在其中R = C15-22碳环融合环系统，含有3-5个芳香环，可选地被1-2个取代基取代，所述取代基（总共含有≤4个碳原子）为卤素; 腈; C1-4烷基或C1-4烷氧基，每个可选地被OH或C1-2烷氧基取代; 卤素取代的C1-2烷基或C1-2烷氧基; S（O）nR2 n = 0-2，R2为C1-2烷基，可选地被OH或C1-2烷氧基取代; 或R可选地被NR3R4（其中含有≤5个碳）取代，其中R3和R4 = C1 3烷基或NR3R4形成一个5-或6-成员杂环环，可选地含有1-2个额外的杂原子; R1含有≤8个碳，并且为其中m为0或1的形式; R5和R6 = H或C1-5烷基，可选地被OH取代; R7和R8 = H，C1-3烷基; -C-C-是一个五或六成员饱和碳环; R9为H，CH3或CH2OH; R10，R11和R12 = H或CH3; R13 = H，CH3，OH或CH20H，但其中R不是取代或未取代的苝，花菲烯，蒽，芘或三苯基。还披露了含有该化合物的形成物，其制备方法，其制备中的化学中间体以及化合物在肿瘤治疗和作为抗病原体特别是抗真菌剂的用途。
• BAIR, KENNETH W.
  作者：BAIR, KENNETH W.

  DOI：——

  日期：——
• US4791231A
  申请人：——

  公开号：US4791231A

  公开（公告）日：1988-12-13
• US4791232A
  申请人：——

  公开号：US4791232A

  公开（公告）日：1988-12-13
• US4791233A
  申请人：——

  公开号：US4791233A

  公开（公告）日：1988-12-13