Benzoic acid 2-formyl-benzyl ester | 65977-83-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Benzoic acid 2-formyl-benzyl ester
• 英文别名: (2-Formylphenyl)methyl benzoate
• CAS: 65977-83-5
• 化学式: C₁₅H₁₂O₃
• 分子量: 240.258
• InChiKey: MQYPTTKTXNIRRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• AGENT FOR PREVENTING OR TREATING PANCREAS CANCER, OVARY CANCER OR LIVER CANCER CONTAINING NOVEL WATER-SOLUBLE PRODRUG
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1938823A1

  公开（公告）日：2008-07-02

  Preventive or therapeutic agents for pancreatic cancer, ovarian cancer, or liver cancer of the present invention comprise a water-soluble prodrug represented by formula 1 described below, or a pharmaceutically acceptable salt, or a hydrate or solvate of the prodrug or pharmaceutically acceptable salt, (wherein, R1 represents a hydrogen atom, or a C1-C6 alkyl group; W represents a divalent group comprising a tertiary amino group or a divalent group comprising a sulfonyl group, and Y represents a residue of a compound represented by Y-OH comprising an alcoholic hydroxyl group, wherein said Y-OH is a camptothecin, a taxane, or an anticancer nucleotide).

  预防或治疗胰腺癌、卵巢癌或肝癌的本发明药剂包括下述式子所代表的水溶性前药，或者前药的药用可接受盐，或者前药或药用可接受盐的水合物或溶剂化合物， （其中， R1代表氢原子，或者C1-C6烷基； W代表包含三级胺基团或含磺酰基团的二价基团，以及 Y代表由Y-OH所代表的化合物残基，包括含有醇羟基的醇羟基化合物残基，其中所述的Y-OH是一种喜树碱、紫杉醇或抗癌核苷酸）。
• [EN] SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION<br/>[FR] INHIBITEURS PROLINE SUBSTITUÉE DE RÉPLICATION DU VIRUS DE L'HÉPATITE C
  申请人：INTERMUNE INC

  公开号：WO2012040242A1

  公开（公告）日：2012-03-29

  The embodiments provide compounds of the general Formulae I, la, II,IIa,III, IIIa, Illb, IV, IVa, IVb, V, Va, Vb, VI, VIa, VIb, and VIc, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition. The embodiments also provide methods for the synthesis of subject compounds and intermediates in the synthetic methods.

  该实施例提供了一般式I、Ia、II、IIa、III、IIIa、IIIb、IV、IVa、IVb、V、Va、Vb、VI、VIa、VIb和VIc的化合物，以及包括药物化合物的组合物，包括制药组合物。该实施例还提供了治疗方法，包括治疗丙型肝炎病毒感染和治疗肝纤维化的方法，这些方法通常涉及向需要的个体施用所述化合物或组合物的有效量。该实施例还提供了用于合成所述化合物和合成方法中间体的方法。
• NOVEL ANTICANCER CONCOMITANT DRUG
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1925309A1

  公开（公告）日：2008-05-28

  A cancer therapeutic agent according to the present invention comprises a combination of compound A described below, or a pharmaceutically acceptable salt thereof, and compound B described below, or a pharmaceutically acceptable salt thereof: Compound A: compound A1 represented by formula (1) below, or water-soluble prodrug A2 thereof; Compound B: at least one type of compound selected from the group consisting of a platinum-type anticancer compound, a gemcitabine-type compound, a 5-FU-type compound, a taxane-type compound, a vinca alkaloid-type compound, an anticancer tyrosine kinase inhibitor compound, and an anticancer monoclonal antibody; (wherein, R11 represents a hydrogen atom, a halogen atom or a C1-C6 alkyl group; R12 represents a hydrogen atom, a halogen atom, a C1-C6 alkyl group, or a hydroxyl group; R21 represents a hydrogen atom or a C1-C10 alkyl group which may comprise one to three substituents selected from Group B described below: Group B: a C1-C6 alkoxy group, a hydroxy group, a halogen atom, an amino group, a mono-C1-C6 alkylamino group, a di-C1-C6 alkylamino group, a C3-C7 cycloalkyl group, a heterocycle, and an aryl ring (the aryl ring may comprise one to three substituents selected from the group consisting of a hydroxy group, a C1-C6 alkoxy group, a halogen atom, an amino group, a mono-C1-C6 alkylamino group, and a di-C1-C6 alkylamino group); and R22 represents a hydrogen atom, an amino group, or a C1-C6 alkyl group that may comprise one to three substituents selected from Group C described below, a C1-C6 alkoxy group that may comprise one to three substituents selected from Group C described below, a C1-C6 alkylthio group that may comprise one to three substituents selected from Group C described below, a mono-C1-C6 alkylamino group that may comprise one to three substituents selected from Group C described below, or a di-C1-C6 alkylamino group that may comprise one to three substituents selected from Group C described below: Group C: a C1-C6 alkoxy group, a hydroxy group, a halogen atom, an amino group, a C3-C7 cycloalkyl group, a heterocycle, and an aryl ring (the aryl ring may comprise one to three substituents selected from the group consisting of a hydroxy group, a C1-C6 alkoxy group, an amino group, a mono-C1-C6 alkylamino group, and a di-C1-C6 alkylamino group).

  根据本发明，一种癌症治疗剂包括以下所述的化合物A的组合物，或其药用可接受的盐，以及以下所述的化合物B的组合物，或其药用可接受的盐：化合物A：以下式（1）表示的化合物A1，或其水溶性前药A2；化合物B：选自铂类抗癌化合物、吉西他滨类化合物、5-氟尿嘧啶类化合物、紫杉醇类化合物、长春碱类化合物、抗癌酪氨酸激酶抑制剂化合物和抗癌单克隆抗体的化合物中的至少一种化合物；（其中，R11代表氢原子、卤原子或C1-C6烷基；R12代表氢原子、卤原子、C1-C6烷基或羟基；R21代表氢原子或C1-C10烷基，可能包括来自下文所述的B组的1至3个取代基：B组：C1-C6烷氧基、羟基、卤原子、氨基、单烷基氨基、双烷基氨基、C3-C7环烷基、杂环和芳基（芳基可能包括来自羟基、C1-C6烷氧基、卤原子、氨基、单烷基氨基和双烷基氨基的1至3个取代基）；R22代表氢原子、氨基或可能包括来自下文所述的C组的1至3个取代基的C1-C6烷基、可能包括来自下文所述的C组的1至3个取代基的C1-C6烷氧基、可能包括来自下文所述的C组的1至3个取代基的C1-C6烷硫基、可能包括来自下文所述的C组的1至3个取代基的单烷基氨基，或可能包括来自下文所述的C组的1至3个取代基的双烷基氨基：C组：C1-C6烷氧基、羟基、卤原子、氨基、C3-C7环烷基、杂环和芳基（芳基可能包括来自羟基、C1-C6烷氧基、氨基、单烷基氨基和双烷基氨基的1至3个取代基）。
• [EN] CATIONIC POLYMERS<br/>[FR] POLYMÈRES CATIONIQUES
  申请人：TRANSLATE BIO INC

  公开号：WO2019152802A1

  公开（公告）日：2019-08-08

  Disclosed are cationic polymers comprising monomers such as those described in Formula (I). Such polymers can be useful for the preparation of therapeutic compositions [e.g., compositions comprising nucleic acids such as m RNA). Additionally, therapeutic compositions comprising these cationic, biodegradable polymers can have improved properties and reduced toxicity.

  揭示了包括如公式(I)中所述单体的阳离子聚合物。这些聚合物可用于制备治疗性组合物（例如，包含核酸如mRNA的组合物）。此外，包含这些阳离子、可生物降解聚合物的治疗性组合物可能具有改善的性能和降低的毒性。
• [EN] SYNTHESIS OF BORONATE SALTS AND USES THEREOF<br/>[FR] SYNTHÈSE DE SELS BORONATE ET UTILISATIONS DE CEUX-CI
  申请人：REMPEX PHARMACEUTICALS INC

  公开号：WO2015171430A1

  公开（公告）日：2015-11-12

  Disclosed herein are boronate intermediates in the synthesis of antimicrobial compounds and the use and preparation thereof. Some embodiments relate to crystalline boronate salt derivatives and their use in the synthesis of therapeutic compounds.

  本文披露了在合成抗微生物化合物过程中的硼酸酯中间体及其使用和制备。一些实施例涉及结晶硼酸盐衍生物及其在合成治疗化合物中的使用。