potassium 9,10-dihydro-9,10-dioxoanthracene-1-sulfonate | 38641-06-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: potassium 9,10-dihydro-9,10-dioxoanthracene-1-sulfonate
• 英文别名: potassium anthraquinone-1-sulfonate；9,10-Dioxo-9,10-dihydro-anthracen-1-sulfonsaeure; Kalium-Verbindung；9,10-Dioxo-9,10-dihydro-anthracen-1-sulfonsaeure; Kalium-Salz；Kaliumsalz der Anthrachinon-sulfonsaeure-(1)；potassium anthraquinone-1-sulphonate；Potassium 9,10-dihydro-9,10-dioxoanthracene-1-sulphonate；potassium;9,10-dioxoanthracene-1-sulfonate
• CAS: 38641-06-4
• 化学式: C₁₄H₇O₅S*K
• mdl: MFCD00474594
• 分子量: 326.371
• InChiKey: BMAWOUMCJNTMPB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.63
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  potassium 9,10-dihydro-9,10-dioxoanthracene-1-sulfonate 在 盐酸 、 水 、 氯 作用下， 生成 1-氯蒽醌
  参考文献：
  名称：

  DE205195

  摘要：

  公开号：

文献信息

• Synthesis and Cytotoxic Activity of 7-Oxo-7<i>H</i>-dibenz[<i>f</i><i>,</i><i>i</i><i>j</i>]isoquinoline and 7-Oxo-7<i>H</i>-benzo[<i>e</i>]perimidine Derivatives
  作者：Xianyong Bu、Leslie W. Deady、Graeme J. Finlay、Bruce C. Baguley、William A. Denny

  DOI：10.1021/jm010041l

  日期：2001.6.1

  A series of 7-oxo-7H-dibenz[f,ij]isoquinoline and 7-oxo-7H-benzo[e]perimidines bearing cationic side chains were prepared from aminoanthraquinones. The perimidines were prepared from 1-aminoanthraquinone by initial condensation with urea or dimethylacetamide. A series of 2-, 4-, 8-, and 11-carboxy derivatives of the dibenzisoquinolines were prepared from aminoanthraquinonecarboxylic acids. The cationic

  从氨基蒽醌制备了一系列带有阳离子侧链的7-氧代-7H-二苯并[f，ij]异喹啉和7-氧代-7H-苯并[e]亚氨基。通过与尿素或二甲基乙酰胺的初始缩合，由1-氨基蒽醌制备过亚im啶。由氨基蒽醌羧酸制备了二苯并异喹啉的一系列2-，4-，8-和11-羧基衍生物。由这些经由酰胺，胺或亚甲基接头制备阳离子衍生物，以研究侧链定位对生物活性的影响。在一系列与羧酰胺连接的化合物中，增加的细胞毒性顺序为8-<4- <2- <11-。2-和4-羧酰胺对小鼠体内的皮下结肠38肿瘤表现出明显的生长延迟，
• Anthraquinone dyestuffs
  申请人：Bayer Aktiengesellschaft

  公开号：US03971812A1

  公开（公告）日：1976-07-27

  Compounds of formula ##SPC1## Wherein R.sub.1 and R.sub.2 independently of one another denote optionally substituted alkyl radicals with 1-3 C atoms and R.sub.3 represents hydrogen or an optionally substituted alkyl radical with 1-5 C atoms, as well as compounds of the formula ##SPC2## Wherein R.sub.4 represents an alkyl group which is optionally substituted by hydroxyl or alkoxy groups, and R.sub.5 and R.sub.6 represent hydrogen or an amino group which is monosubstituted or disubstituted by a straight-chain alkyl group or a cycloalkyl group, with the proviso that R.sub.5 and R.sub.6 do not simultaneously represent hydrogen, and processes for their production.

  化学式为##SPC1##的化合物，其中R.sub.1和R.sub.2分别独立地表示具有1-3个碳原子的可选取代的烷基基团，R.sub.3表示氢或具有1-5个碳原子的可选取代的烷基基团；以及化学式为##SPC2##的化合物，其中R.sub.4表示可选取代的含有羟基或烷氧基的烷基团，R.sub.5和R.sub.6表示氢或单取代或双取代的直链烷基团或环烷基团的氨基团，但R.sub.5和R.sub.6不能同时表示氢，以及它们的制备方法。
• [EN] ANTI-TUMOUR COMPOUNDS<br/>[FR] COMPOSES ANTITUMORAUX
  申请人：UNIV TROBE

  公开号：WO2002030906A1

  公开（公告）日：2002-04-18

  A compound of formula (II) in which positional numbering, where mentioned, refers to the system illustrated above, and one or more W and one or more U are attached to a ring carbon or carbons at any of positions 1-11 or to a ring nitrogen at position 7 if present, and in which: W is C(=Q)NRCHJ(CH2)nR1 where Q is O or S, R is hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, J is H or a C1-C6 alkyl group optionally substituted with OH, OMe, NH2, NHMe or NMe2 functions, R?1¿ is C(=NR2)NH2, NHC(=NR3)NH2 or NR4R5, where each of R?2 and R3¿ are independently hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, and R?4 and R5¿ are independently hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, or R?4 and R5¿ together with the nitrogen atom to which they are attached form an optionally substituted saturated or unsaturated heterocyclic group; and n is an integer from 0 to 5; X, Y, V are independently CH or N; Z is CH¿2?, CH-C1-4 alkyl, CO, O, S, SO, SO2, N-C1-4 alkyl or NH; and U is H, halo, OH, CO2H, NR?6R7¿, nitro, cyano, C¿1-6? alkyl, C1-6 haloalkyl, C1-6 alkoxy, C1-6 haloalkoxy, C1-6 aminoalkyl or C1-6 aminoalkoxy in which R?6 and R7¿ have the same definitions as R?4 and R5¿ above; or a pharmaceutically-acceptable salt, N-oxide, hydrate, solvate, pharmaceutically acceptable derivative, pro-drug, tautomer or isomer thereof, with the proviso that W at position 4 cannot be CONH(CH¿2?)2NMe2, CONH(CH2)2NEt2, CONH(CH2)3NMe2, CONH(CH2)3NEt2, CONH(CH2)2Npiperidyl, or CONH(CH2)2Nmorpholinyl, when X and Y are N, V is CH, U is H and Z is CO. 'Bis' compounds and carboxylic acid precursors are also claimed. The compounds are useful in the treatment of neoplastic conditions such as cancer.

  式（II）的化合物，其中位置编号（如有提及）是指上述系统，其中一个或多个W和一个或多个U附加到任何1-11位置的环碳或碳上，或附加到7号位置的环氮（如存在），其中：W是C（=Q）NRCHJ（CH2）nR1，其中Q为O或S，R为氢或可选地取代一个或多个OH或NH2基团的C¿1-4？烷基，J为H或可选地取代OH，OMe，NH2，NHMe或NMe2功能的C1-C6烷基，R?1¿为C（=NR2）NH2，NHC（=NR3）NH2或NR4R5，其中R?2和R3¿各自独立地为氢或可选地取代一个或多个OH或NH2基团的C¿1-4？烷基，而R?4和R5¿独立地为氢或可选地取代一个或多个OH或NH2基团的C¿1-4？烷基，或者R?4和R5¿与它们附着的氮原子一起形成可选地取代的饱和或不饱和杂环基团；n是0到5的整数；X，Y，V各自独立地为CH或N；Z为CH¿2？，CH-C1-4烷基，CO，O，S，SO，SO2，N-C1-4烷基或NH；U为H，卤素，OH，CO2H，NR?6R7¿，硝基，氰基，C¿1-6？烷基，C1-6卤代烷基，C1-6烷氧基，C1-6卤代烷氧基，C1-6氨基烷基或C1-6氨基烷氧基，其中R?6和R7¿与上述R?4和R5¿的定义相同；或其药学上可接受的盐，N-氧化物，水合物，药学上可接受的衍生物，前药，互变异构体，但在X和Y为N，V为CH，U为H，Z为CO时，位置4的W不能是CONH（CH¿2？）2NMe2，CONH（CH2）2NEt2，CONH（CH2）3NMe2，CONH（CH2）3NEt2，CONH（CH2）2Npiperidyl或CONH（CH2）2Nmorpholinyl。还声明了“双”化合物和羧酸前体。这些化合物在治疗癌症等肿瘤条件方面有用。
• Dienel, Chemische Berichte, 1906, vol. 39, p. 932
  作者：Dienel

  DOI：——

  日期：——
• PHOTOACID GENERATOR AND PHOTOREACTIVE COMPOSITION
  申请人：Sumitomo Seika Chemicals Co., Ltd.

  公开号：EP2218715B1

  公开（公告）日：2017-06-28