3-{[4-(butylsulphonyl)piperazin-1-yl]carbonyl}naphthalene-2,6-diol | 396074-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-{[4-(butylsulphonyl)piperazin-1-yl]carbonyl}naphthalene-2,6-diol
• 英文别名: (4-Butylsulfonylpiperazin-1-yl)-(3,7-dihydroxynaphthalen-2-yl)methanone
• CAS: 396074-18-3
• 化学式: C₁₉H₂₄N₂O₅S
• 分子量: 392.476
• InChiKey: AHEQWNGHWSENKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent
  申请人：Prevost Gregoire

  公开号：US20060281736A1

  公开（公告）日：2006-12-14

  A subject of the invention is a product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent for a therapeutic use which is simultaneous, separate or spread over time in the treatment of cancer. According to the invention, the other anti-cancer agent is preferably chosen from: analogues of DNA bases such as 5-fluorouracil; Type I and/or II topoisomerase inhibitors such as for example camptothecin and its analogues, doxorubicin or amsacrine; compounds interacting with the cell spindle such as for example paclitaxel (Taxol); compounds acting on the cytoskeleton such as vinblastine; inhibitors of the transduction of the signal passing through the heterotrimeric G proteins; prenyltransferase inhibitors, and in particular farnesyltransferase inhibitors; cyclin-dependent kinase (CDKs) inhibitors; alkylating agents such as cisplatin; antagonists of folic acid such as methotrexate; and inhibitors of the synthesis of DNA and cell division cell such as mitomycin C. A further subject of the invention is (1R)-1-[((2R)-2-amino-3-[(8S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl]-3-oxopropyl}dithio)methyl]-2-[(8S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8B)-yl]-2-oxoethylamine, or a pharmaceutically acceptable salt thereof, useful as an anticancer agent.

  本发明的一个主题是一种产品，包括至少一种Cdc25磷酸酶抑制剂与至少一种其他抗癌药物的组合，用于治疗癌症，治疗可以同时进行、分开进行或随时间推移进行。根据本发明，其他抗癌药物优选从以下选择：DNA碱基类似物，如5-氟尿嘧啶；I型和/或II型拓扑异构酶抑制剂，例如紫杉醇及其类似物、阿霉素或阿马曲辛；与细胞纺锤相互作用的化合物，例如紫杉醇（紫杉醇）；作用于细胞骨架的化合物，如长春碱；通过异三聚体G蛋白传递的信号的抑制剂；前尾转移酶抑制剂，特别是法尼基转移酶抑制剂；细胞周期蛋白依赖性激酶（CDKs）抑制剂；碱化剂，如顺铂；叶酸拮抗剂，如甲氨蝶呤；以及DNA合成和细胞分裂细胞的抑制剂，如丝裂霉素C。本发明的另一个主题是（1R）-1-[((2R)-2-氨基-3-[(8S)-8-(环己甲基)-2-苯基-5,6-二氢咪唑[1,2-a]吡嗪-7(8H)-基]-3-氧代丙基}二硫)甲基]-2-[(8S)-8-(环己甲基)-2-苯基-5,6-二氢咪唑[1,2-a]吡嗪-7(8B)-基]-2-氧代乙基胺，或其药学上可接受的盐，用作抗癌剂。
• Cdc25 photophatase inhibitors
  申请人：——

  公开号：US20040034103A1

  公开（公告）日：2004-02-19

  The invention concerns novel cdc25 phosphatase inhibitors, and in particular cdc25-C, which correspond to the general formula (I) wherein: A represents a carbocyclic aryl radical optionally substituted 1 to 3 times by one or more radicals independently selected among a halogen atom and an alkyl, hydroxy, alkoxy, alkylthio or NR 1 R 2 radical wherein R 1 and R 2 represent a hydrogen atom or an alkyl radical or R 1 and R 2 form together with the nitrogen atom a heterocycle of 4 to 7 members comprising 1 to 2 heteroatoms, the members required to complete the heterocycle being selected independently among the CR 3 R 4 —, —O—, —S and NR 5 -radicals, R 3 and R 4 representing independently each time they are involved a hydrogen atom or an alkyl, hydroxy, alkoxy, amino, alkylamino or dialkylamino radical, and R 5 representing independently each time it is involved a hydrogen atom or an alkyl radical, or A represents a phenyl radical substituted by a phenyl radical optionally substituted 1 to 3 times by one or more radicals selected independently among a halogen atom and an alkyl, hydroxy, alkoxy, alkylthio or NR 1 R 2 radical wherein R 1 and R 2 represent a hydrogen atom or an alkyl radical; B represents a —(CH 2 ) i —(CO)— or —NH—CO—(CH 2 ) n or —(CH 2 ) p and i and n being integers from 0 to 2 and p being an integer from 0 to 1; W represents a hydrogen atom or an alkyl radical; X represents a —(CH 2 ) q — or (CH 2 ) j —CO—(CH 2 ) r —, q being an integer from 1 to 4 and j and r being integers from 0 to 6; Y represents in particular a nitrophenyl, aminophenyl, alkylaminophenyl or dialkylaminophenyl radical or the radical (T). 1

  该发明涉及新型cdc25磷酸酶抑制剂，特别是cdc25-C，其对应于一般式(I)，其中：A代表一个通过卤原子、烷基、羟基、烷氧基、烷基硫基或NR1R2基团中独立选择的一个或多个基团1至3次取代的碳环芳基，其中R1和R2分别表示氢原子或烷基基团，或者R1和R2与氮原子一起形成包括1至2个杂原子的4至7个成员的杂环，用于完成杂环的成员独立选择于CR3R4—、—O—、—S和NR5基团中，其中R3和R4在涉及时分别表示氢原子或烷基、羟基、烷氧基、氨基、烷基氨基或二烷基氨基基团，R5在涉及时表示氢原子或烷基基团，或者A代表一个苯基基团，该苯基基团通过一个或多个基团1至3次独立选择的卤原子和烷基、羟基、烷氧基、烷基硫基或NR1R2基团取代；B代表一个—(CH2)i—(CO)—或—NH—CO—( )n或—( )p的基团，其中i和n为0至2的整数，p为0至1的整数；W代表氢原子或烷基基团；X代表一个—( )q—或( )j—CO—( )r—的基团，其中q为1至4的整数，j和r为0至6的整数；Y特别代表一个硝基苯基、氨基苯基、烷基氨基苯基或二烷基氨基苯基基团或基团(T)。
• Inhibitors of Cdc25 phosphatases
  申请人：Prevost Gregoire

  公开号：US20060154933A1

  公开（公告）日：2006-07-13

  A method of inhibiting cdc25 phosphatases in warm-blooded animals comprising administering to warm-blooded animals in need thereof an effective amount of a compound of the formula wherein the substituents are defined as in the specification.

  抑制温血动物cdc25磷酸酯酶的一种方法，包括向需要该方法的温血动物施用有效量的以下化合物：其中取代基的定义如规范中所述。
• Inhibitors of cdc25 phosphatases
  申请人：Prevost Gregoire

  公开号：US20060235027A1

  公开（公告）日：2006-10-19

  A method of inhibiting cdc25 phosphatases in warm-blooded animals comprising administering to warm-blooded animals in need thereof an effective amount of a compound of the formula wherein the substituents are defined as in the specification.

  抑制温血动物中cdc25磷酸酶的方法，包括向需要该方法的温血动物施用一种有效量的化合物，该化合物的公式如下：其中取代基的定义如规范中所述。
• Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent
  申请人：Provost Gregoire

  公开号：US20090253685A1

  公开（公告）日：2009-10-08

  A subject of the invention is a product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent for a therapeutic use which is simultaneous, separate or spread over time in the treatment of cancer. According to the invention, the other anti-cancer agent is preferably chosen from: analogues of DNA bases such as 5-fluorouracil; Type I and/or II topoisomerase inhibitors such as for example camptothecin and its analogues, doxorubicin or armsacrine; compounds interacting with the cell spindle such as for example paclitaxel (Taxol); compounds acting on the cytoskeleton such as vinblastine; inhibitors of the transduction of the signal passing through the heterotrimeric G proteins; prenyltransferase inhibitors, and in particular farnesyltransferase inhibitors; cyclin-dependent kinase (CDKs) inhibitors; alkylating agents such as cisplatin; antagonists of folic acid such as methotrexate; and inhibitors of the synthesis of DNA and cell division cell such as mitomycin C. A further subject of the invention is (1R)-1-[((2R)-2-amino-3-[(8S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl]-3-oxopropyl}dithio)methyl]-2-[(8S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl]-2-oxoethylamine, or a pharmaceutically acceptable salt thereof, useful as an anticancer agent.

  本发明的一个主题是一种产品，其包含至少一种Cdc25磷酸酶抑制剂和至少一种其他抗癌药物的组合，用于治疗癌症的同时、分离或时间延长的治疗。根据本发明，其他抗癌药物优选从以下选择：DNA碱基类似物，例如5-氟尿嘧啶；I型和/或II型拓扑异构酶抑制剂，例如伯氨喹、多柔比星或阿姆沙曲；与细胞纺锤相互作用的化合物，例如紫杉醇（紫杉醇）；作用于细胞骨架的化合物，例如长春新碱；通过异源三聚体G蛋白传递信号的抑制剂；戊二烯基转移酶抑制剂，特别是戊二烯基转移酶抑制剂；细胞周期蛋白依赖性激酶（CDKs）抑制剂；碱基化剂，例如顺铂；叶酸拮抗剂，例如甲氨蝶呤；以及DNA合成和细胞分裂细胞的抑制剂，例如丝裂霉素C。本发明的另一个主题是（1R）-1-[（（2R）-2-氨基-3-[(8S)-8-（环己基甲基）-2-苯基-5,6-二氢咪唑[1,2-a]吡嗪-7（8H）-基]-3-氧代丙基}硫代）甲基]-2-[(8S)-8-（环己基甲基）-2-苯基-5,6-二氢咪唑[1,2-a]吡嗪-7（8H）-基]-2-氧代乙胺或其药学上可接受的盐，用作抗癌剂。