2-Mercaptobenzimidazole sodium salt | 15091-69-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-Mercaptobenzimidazole sodium salt
• CAS: 15091-69-7
• 化学式: C7H6N2NaS
• 分子量: 173.19
• InChiKey: UCTUNCJCTXXXGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-bromomethyl-4-(3'-methylanilino)quinazoline 、 2-Mercaptobenzimidazole sodium salt 以to give 6-(2-benzimidazolylthiomethyl)-4-(3-methylanilino)quinazoline in 59% yield, m.p. 123°-129° C.的产率得到6-(2-benzimidazolylthiomethyl)-4-(3-methylanilino)quinazoline
  参考文献：
  名称：

  Quinazoline derivatives

  摘要：

  本发明涉及公式I1的喹唑啉衍生物，其中X1是直接连接或类似于CO，C（R2）2和CH（OR2）的基团；其中Q1是苯基，萘基或5-或6-成员的杂环芳基残基，Q1最多可带有3个取代基；其中m为1或2，每个R1可以是氢，卤代和三氟甲基等基团；而Q2可以是苯基或9-或10-成员的双环杂环芳基残基，Q2最多可带有3个取代基；或其药学上可接受的盐；制备它们的方法，包含它们的制药组合物和利用它们的受体酪氨酸激酶抑制性质治疗增生性疾病，如癌症。

  公开号：

  US20030018029A1

文献信息

• Vinylpyrrolidinone cephalosporin derivatives
  申请人：Hoffman-La Roche Inc.

  公开号：US06294668B1

  公开（公告）日：2001-09-25

  The present invention relates to cephalosporin derivatives of the general formula where R1 is halogen, lower alkyl, phenyl, benzyl, styryl, naphthyl or heterocyclyl; the lower alkyl, phenyl, benzyl, styryl, naphthyl and heterocyclyl being optionally substituted by at least one of halogen, hydroxy, optionally substituted lower alkyl, optionally substituted lower alkoxy, optionally substituted phenyl, amino, lower alkylamino, di-lower alkylamino, carboxy, lower alkylcarboxy, carbamoyl or lower alkylcarbamoyl; R4, R5 independently are hydrogen, lower alkyl or phenyl; X is S, O, NH or CH2; n is 0,1 or 2; m is 0 or 1; s is 0 or 1; R2 is hydrogen, hydroxy, —CH2—CONHR6, lower alkyl-Qr, cycloalkyl-Qr, lower alkoxy, lower alkenyl, cycloalkenyl-Qr, lower alkynyl, aralkyl-Qr, aryl-Qr, aryloxy, aralkoxy, a heterocyclic ring or a heterocyclyl-Qr, the lower alkyl, cycloalkyl, lower alkoxy, lower alkenyl, cycloalkenyl, lower alkynyl, aralkyl, aryl, aryloxy, aralkoxy and the heterocyclic ring may be substituted with at least one group selected from carboxy, amino, nitro, cyano, —SO2NHR6, optionally fluoro substituted lower alkyl, lower alkoxy, hydroxy, halogen, —CONR6R7, —CH2CONR6R7, —N(R7)COOR8, R7CO—, R7OCO—, R7COO —, —C(R7R9)CO2R8, —C(R7R9)CONR7R10, wherein R6 is hydrogen, lower alkyl, cycloalkyl or aryl; R7 and R9 are independently hydrogen or lower alkyl; R8 is hydrogen, lower alkyl, lower alkenyl or a carboxylic acid protecting group; and R10 is hydrogen, &ohgr;hydroxy-alkyl, phenyl, naphthyl or heterocyclyl, the phenyl, naphthyl or heterocyclyl being unsubstituted or substituted with at least one of the groups of optionally protected hydroxy, halogen, optionally substituted lower alkyl or &ohgr;-hydroxyalkyl, optionally substituted lower alkoxy and/or cyano, or R7 and R10 form together group of formula Q is —CHR—, —CO— or —SO2—; r is 0 or 1; R is hydrogen or lower alkyl; and R3 is hydroxy, —O−, lower-alkoxy, or —OM and M represents an alkali metal; as well as readily hydrolyzable esters thereof, pharmaceutically acceptable salts of said compounds and hydrates of the compounds of formula I and of their esters and salts, as well as the preparation of such compounds, their use for the treatment of infectious diseases and pharmaceutical preparations containing such compounds.

  本发明涉及头孢菌素衍生物，其一般式如下：其中R1是卤素、较低的烷基、苯基、苄基、亚苄基、萘基或杂环基；所述较低的烷基、苯基、苄基、亚苄基、萘基和杂环基可以选择性地被至少一个卤素、羟基、选择性取代的较低烷基、选择性取代的较低烷氧基、选择性取代的苯基、氨基、较低烷基氨基、二较低烷基氨基、羧基、较低烷基羧基、氨基甲酰基或较低烷基氨基甲酰基所取代；R4、R5独立地是氢、较低的烷基或苯基；X是S、O、NH或CH2；n为0、1或2；m为0或1；s为0或1；R2是氢、羟基、- -CONHR6、较低烷基-Qr、环烷基-Qr、较低烷氧基、较低烯基、环烷烯基-Qr、较低炔基、芳基烷基-Qr、芳基-Qr、芳氧基、芳基烷氧基、杂环环或杂环基-Qr，所述较低烷基、环烷基、较低烷氧基、较低烯基、环烷烯基、较低炔基、芳基烷基、芳基、芳氧基、芳基烷氧基和杂环环可以被至少一个选择的羧基、氨基、硝基、氰基、-SO2NHR6、可选择性地氟代取代的较低烷基、较低烷氧基、羟基、卤素、-CONR6R7、- CONR6R7、-N（R7）COOR8、R7CO-、R7OCO-、R7COO-、-C（R7R9）CO2R8、-C（R7R9）CONR7R10，其中R6是氢、较低烷基、环烷基或芳基；R7和R9独立地是氢或较低烷基；R8是氢、较低烷基、较低烯基或羧酸保护基；R10是氢、ω-羟基烷基、苯基、萘基或杂环基，其中所述苯基、萘基或杂环基未经取代或被至少一个可选择性保护的羟基、卤素、可选择性取代的较低烷基或ω-羟基烷基、可选择性取代的较低烷氧基和/或氰基所取代，或R7和R10共同形成公式Q的基团，Q为-CHR-、-CO-或-SO2-；r为0或1；R为氢或较低烷基；R3为羟基、-O−、较低烷氧基或-OM，M代表碱金属；以及这些化合物的易于水解的酯、所述化合物的药学上可接受的盐和该式I化合物及其酯和盐的水合物，以及制备这些化合物，它们用于治疗传染病的用途和含有这些化合物的制药制剂。
• Photocurable resin composition
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0136186A2

  公开（公告）日：1985-04-03

  A photocurable composition comprising (a) a radical-poly- merizabie monomer, (b) a -ketocarbonyl compound and (c) a derivative of mercaptobenzimidazole, mercaptobenzothiazole or mercaptobenzoxazole or an aromatic amine nucleus-substituted with an electron-attractive group has a high photocuring speed at near to normal temperature to give a cured product of excellent physical properties. This composition is valuable as a dental adhesive or resin.

  一种光固化组合物由以下部分组成：(a) 自由基聚梅里扎比单体；(b) 酮羰基化合物；(c) 巯基苯并咪唑、巯基苯并噻唑或巯基苯并恶唑的衍生物，或由引电子基团取代的芳香胺核。这种成分可用作牙科粘合剂或树脂。
• Fumagillol derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0359036A1

  公开（公告）日：1990-03-21

  The present invention is related to a compound of the formula wherein R' is a 2-methyl-1-propenyl or isobutyl group which may be substituted and R2 is (1) a substituted alkanoyl group, (2) a substituted aroyl group having at least one substituent selected from the group consisting of C2-6 alkyl, amino, halogen, hydroxyl, lower alkoxy, cyano, carbamoyl and carboxyl, (3) an aromatic heterocycle-carbonyl, which may optionally be substituted, (4) a carbamoyl group, which may optionally be substituted, (5) an alkyl group, which may optionally be substituted, (6) a benzenesulfonyl group, which may optionally be substituted, (7) an alkylsulfonyl group, which may optionally be substituted, (8) a sulfamoyl group, which may optionally be substituted, (9) an alkoxycarbonyl group, which may optionally be substituted or (10) a phenoxycarbonyl group, which may optionally be substituted; or a salt thereof. The compound (I) has a strong angiogenesis inhibitory activity.

  本发明涉及一种分子式如下的化合物 其中 R'是可被取代的 2-甲基-1-丙烯基或异丁基，R2 是 (1) 被取代的烷酰基，(2) 被取代的芳烷基，其至少有一个取代基选自由 C2-6 烷基、氨基、卤素、羟基、低级烷氧基、氰基、氨基甲酰基和羧基组成的组，(3) 芳香杂环-羰基，可任选被取代，(4) 氨基甲酰基，可任选被取代，(5) 烷基，可任选被取代，(6) 苯磺酰基，可任选被取代、(4) 氨基甲酰基，可任选被取代；(5) 烷基，可任选被取代；(6) 苯磺酰基，可任选被取代；(7) 烷磺酰基，可任选被取代；(8) 氨基磺酰基，可任选被取代；(9) 烷氧羰基，可任选被取代；或 (10) 苯氧羰基，可任选被取代；或其盐。 化合物(I)具有很强的血管生成抑制活性。
• Fumagillol derivatives useful as angiogenesis inhibitors
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0682020A1

  公开（公告）日：1995-11-15

  The present invention is related to a compound of the formula wherein R¹ is a 2-methyl-1-propenyl or isobutyl group which may be substituted and R² is (1) a substituted alkanoyl group, (2) a substituted aroyl group having at least one substituent selected from the group consisting of C₂₋₆ alkyl, amino, halogen, hydroxyl, lower alkoxy, cyano, carbamoyl and carboxyl, (3) an aromatic heterocycle-carbonyl, which may optionally be substituted,    (4) an alkyl group, which may optionally be substituted, (5) a benzenesulfonyl group, which may optionally be substituted, (6) an alkylsulfonyl group, which may optionally be substituted, (7) a sulfamoyl group, which may optionally be substituted, (8) an alkoxycarbonyl group, which may optionally be substituted or (9) a phenoxycarbonyl group, which may optionally be substituted; or a salt thereof. The compound (I) has a strong angiogenesis inhibitory activity.

  本发明涉及一种式如下的化合物 其中 R¹ 是可被取代的 2-甲基-1-丙烯基或异丁基，R² 是 (1) 被取代的烷酰基，(2) 具有至少一个取代基的被取代的酰基，该取代基选自由 C₂₋₆烷基、氨基、卤素、羟基、低级烷氧基、氰基、氨基甲酰基和羧基组成的组，(3) 芳香杂环-羰基，可任选被取代、 (4) 烷基，可任选被取代； (5) 苯磺酰基，可任选被取代； (6) 烷磺酰基，可任选被取代； (7) 氨基磺酰基，可任选被取代； (8) 烷氧羰基，可任选被取代；或 (9) 苯氧羰基，可任选被取代；或其盐。 化合物(I)具有很强的血管生成抑制活性。
• Vinylpyrrolidinon cephalosporin derivatives
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0841339A1

  公开（公告）日：1998-05-13

  The present invention relates to cephalosporin derivatives of the general formula where R1is halogen, lower alkyl, phenyl, benzyl, styryl, naphthyl or heterocyclyl; the lower alkyl, phenyl, benzyl, styryl, naphthyl and heterocyclyl being optionally substituted by at least one of halogen, hydroxy, optionally substituted lower alkyl, optionally substituted lower alkoxy, optionally substituted phenyl, amino, lower alkylamino, di-lower alkylamino, carboxy, lower alkylcarboxy, carbamoyl or lower alkylcarbamoyl; R4, R5independently are hydrogen, lower alkyl or phenyl; Xis S, O, NH or CH2; nis 0,1 or 2; mis 0 or 1; sis 0 or 1; R2is hydrogen, hydroxy, -CH2-CONHR6, lower alkyl-Qr, cycloalkyl-Qr, lower alkoxy, lower alkenyl, cycloalkenyl-Qr, lower alkynyl, aralkyl-Qr, aryl-Qr, aryloxy, aralkoxy, a heterocyclic ring or a heterocyclyl-Qr, the lower alkyl, cycloalkyl, lower alkoxy, lower alkenyl, cycloalkenyl, lower alkynyl, aralkyl, aryl, aryloxy, aralkoxy and the heterocyclic ring may be substituted with at least one group selected from carboxy, amino, nitro, cyano, -SO2NHR6, optionally fluoro substituted lower alkyl, lower alkoxy, hydroxy, halogen, -CONR6R7, -CH2CONR6R7, -N(R7)COOR8, R7CO-, R7OCO-, R7COO-, -C(R7R9)CO2R8, -C(R7R9)CONR7R10, wherein R6 is hydrogen, lower alkyl, cycloalkyl or aryl; R7 and R9 are independently hydrogen or lower alkyl; R8 is hydrogen, lower alkyl, lower alkenyl or a carboxylic acid protecting group; and R10 is hydrogen, ω-hydroxy-alkyl, phenyl, naphthyl or heterocyclyl, the phenyl, naphthyl or heterocyclyl being unsubstituted or substituted with at least one of the groups of optionally protected hydroxy, halogen, optionally substituted lower alkyl or ω-hydroxyalkyl, optionally substituted lower alkoxy and/or cyano, or R7 and R10 form together group of formula Qis -CHR-, -CO- or -SO2-; ris 0 or 1; Ris hydrogen or lower alkyl; and R3is hydroxy, -O-, lower-alkoxy, or -OM and M represents an alkali metal; as well as readily hydrolyzable esters thereof, pharmaceutically acceptable salts of said compounds and hydrates of the compounds of formula I and of their esters and salts, as wen as the preparation of such compounds, their use for the treatment of infectious diseases and pharmaceutical preparations containing such compounds.

  本发明涉及通式如下的头孢菌素衍生物 式中 R1为卤素、低级烷基、苯基、苄基、苯乙烯基、萘基或杂环基；低级烷基、苯基、苄基、苯乙烯基、萘基和杂环基可任选被卤素、羟基、任选取代的低级烷基、任选取代的低级烷氧基、任选取代的苯基、氨基、低级烷基氨基、二低级烷基氨基、羧基、低级烷基羧基、氨基甲酰基或低级烷基氨基甲酰基中的至少一种取代； R4、R5 分别为氢、低级烷基或苯基； X是S、O、NH或CH2； n为 0、1 或 2； 误差为 0 或 1； sis 0 或 1； R2是氢、羟基、- -CONHR6、低级烷基-Qr、环烷基-Qr、低级烷氧基、低级烯基、环烯基-Qr、低级炔基、烷基-Qr、芳基-Qr、芳氧基、烷氧基、杂环或杂环基-Qr，低级烷基、环烷基、低级烷氧基、低级烯基、环烯基、低级炔基、烷基、芳基、芳氧基、芳烷氧基和杂环可被至少一个选自羧基、氨基、硝基、氰基、-SO2NHR6、任选被氟取代的低级烷基、低级烷氧基、羟基、卤素、-CONR6R7、- CONR6R7、-N(R7)COOR8、R7CO-、R7OCO-、R7COO-、-C(R7R9)CO2R8、-C(R7R9)CONR7R10 的基团取代，其中 R6 是氢、低级烷基、环烷基或芳基； R7 和 R9 独立地为氢或低级烷基 R8 是氢、低级烷基、低级烯基或羧酸保护基；以及 R10 是氢、ω-羟基烷基、苯基、萘基或杂环基，其中苯基、萘基或杂环基是未取代的或被至少一个基团取代的，这些基团是受保护的羟基、卤素、任选取代的低级烷基或ω-羟基烷基、任选取代的低级烷氧基和/或氰基，或 R7 和 R10 共同组成式中的基团。 Qis-CHR-、-CO- 或-SO2-； 是 0 或 1； R2是氢或低级烷基；和 R3是羟基、-O-、低级烷氧基或-OM，M代表碱金属； 以及其易于水解的酯、所述化合物的药学上可接受的盐和式Ⅰ化合物及其酯和盐的水合物，以及这类化合物的制备、它们在治疗传染性疾病中的用途和含有这类化合物的药物制剂。