(4-(methoxy-methyl-carbamoyl)-cyclohexyl)-carbamic acid benzyl ester | 614715-82-1

• 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: (4-(methoxy-methyl-carbamoyl)-cyclohexyl)-carbamic acid benzyl ester
• 英文别名: Benzyl cis-4-(methoxy(methyl)carbamoyl)cyclohexylcarbamate；benzyl N-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamate
• CAS: 614715-82-1
• 化学式: C₁₇H₂₄N₂O₄
• 分子量: 320.389
• InChiKey: KEPVPNRFMVTTKV-UHFFFAOYSA-N

物化性质

• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-(methoxy-methyl-carbamoyl)-cyclohexyl)-carbamic acid benzyl ester 在 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以74%的产率得到4-(benzyloxycarbonylamino)cyclohexylcarbaldehyde
  参考文献：
  名称：

  Tri-substituted heteroaryls and methods of making and using the same

  摘要：

  公式(I)的化合物对Alk 5和/或Alk 4具有意外的亲和力，可以用作拮抗剂，用于预防和/或治疗包括纤维化疾病在内的多种疾病。在一个实施例中，发明特点是一种通用公式(I)的化合物。

  公开号：

  US20060063809A1
• 作为产物：
  描述：

  二甲羟胺盐酸盐 在 草酰氯 、 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以38%的产率得到(4-(methoxy-methyl-carbamoyl)-cyclohexyl)-carbamic acid benzyl ester
  参考文献：
  名称：

  Tri-substituted heteroaryls and methods of making and using the same

  摘要：

  公式(I)的化合物对Alk 5和/或Alk 4具有意外的亲和力，可以用作拮抗剂，用于预防和/或治疗包括纤维化疾病在内的多种疾病。在一个实施例中，发明特点是一种通用公式(I)的化合物。

  公开号：

  US20060063809A1

文献信息

• [EN] AMINOPYRIMIDINES AS SYK INHIBITORS<br/>[FR] AMINOPYRIMIDINES EN TANT QU'INHIBITEURS DE SYK
  申请人：MERCK SHARP & DOHME

  公开号：WO2012154519A1

  公开（公告）日：2012-11-15

  The present invention provides novel pyrimidine amines of formula I which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis and cancer.

  本发明提供了一种新型的嘧啶胺化合物，其化学式为I，它们是脾酪氨酸激酶的有效抑制剂，可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺病、类风湿关节炎和癌症。
• [EN] INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS<br/>[FR] INHIBITEURS D'ARGINASE ET LEURS APPLICATIONS THÉRAPEUTIQUES
  申请人：MARS INC

  公开号：WO2011133653A1

  公开（公告）日：2011-10-27

  Compounds according to Formula I and Formula II are potent inhibitors of Arginase I and II activity : Formule (I), (II) where R1, R2, R3, R4, R5, R6, R7, R8, R9, D, M, X, and Y are defined as set forth in the specification. The invention also provides pharmaceutical compositions of the compounds and methods of their use for treating or preventing a disease or a condition associated with arginase activity.

  根据式I和式II，化合物是Arginase I和II活性的强效抑制剂：式(I)，(II)中的R1、R2、R3、R4、R5、R6、R7、R8、R9、D、M、X和Y的定义如规范所述。该发明还提供了这些化合物的药物组合物以及它们用于治疗或预防与Arginase活性相关的疾病或病况的方法。
• [EN] TRICYCLIC ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES TRICYCLIQUES
  申请人：BASILEA PHARMACEUTICA AG

  公开号：WO2011073378A1

  公开（公告）日：2011-06-23

  Compound of formula (I): wherein A1 represents -O-, -S- or -N-R3; A2 represents -CH2-, -O-, -N-R4, -C(=O)- or -CH(O-R4)-; A3 represents C3-C8cycloalkylene; saturated and unsaturated 4 to 8-membered heterocyclodiyl with 1, 2 or 3 heteroatoms selected from nitrogen, oxygen and sulphur, which group A3 is unsubstituted or substituted; A4 represents C1-C4alkylene, C2-C4alkenylene, >C=O or a group selected from - C2H4NH-, -C2H4O-, and -C2H4S- being linked to the adjacent NR5-group via the carbon atom; and G represents aryl or heteroaryl, which is unsubstituted or substituted and R1 and R2 independently of one another, represent hydrogen or a substituent selected from hydroxy, halogen, mercapto, cyano, nitro, C1-C6alkyl, C1-C6alkoxy, C1-C6alkylthio, C1-C6alkylcarbonyloxy, C1-C6alkylsulfonyloxy, C1-C6heteroalkylcarbonyloxy, C5-C6heterocyclylcarbonyloxy, C1-C6heteroalkoxy, wherein heteroalkyl, heteroalkoxy groups or heterocyclyl comprise 1, 2 or 3 heteroatoms selected from nitrogen, oxygen and sulphur, in which substituents the alkyl moieties are unsubstituted or further substituted; R3, R4 and R5 independently of one another, represent hydrogen or C1-C6alkyl; X1 and X2 independently of one another, represent a nitrogen atom or CR2, with the proviso that at least one of Xl and X2 represents a nitrogen atom; m is 1; and the (CH2)m moiety is optionally substituted by C1-C4alkyl; halogen, carboxy, hydroxy, C1-C4alkoxy, C1-C4-alkylcarbonyloxy, amino, mono- or di-(C1-C4alkyl)amino or acylamino n is 0, 1 or 2 or pharmaceutically acceptable salt thereof are valuable for use as a medicament for the treatment of bacterial infections.

  化合物的化学式（I）：其中A1代表-O-，-S-或-N-R3；A2代表-CH2-，-O-，-N-R4，-C（=O）-或-CH（O-R4）-；A3代表C3-C8环烷基；饱和和不饱和的含有1、2或3个氮、氧和硫杂原子的4至8元杂环二基，其中该基A3未取代或取代；A4代表C1-C4烷基，C2-C4烯基，>C=O或从-C2H4NH-，-C2H4O-和-C2H4S-中选择的一个基团，通过碳原子与相邻的NR5基团连接；G代表芳基或杂芳基，未取代或取代，R1和R2相互独立地代表氢或从羟基，卤素，巯基，氰基，硝基，C1-C6烷基，C1-C6烷氧基，C1-C6烷硫基，C1-C6烷基羰氧基，C1-C6烷基磺酰氧基，C1-C6杂烷基羰氧基，C5-C6杂环烷基羰氧基，C1-C6杂烷氧基中选择的取代基，其中杂烷基，杂烷氧基或杂环烷基包括1、2或3个从氮、氧和硫中选择的杂原子，在这些取代基中，烷基基未取代或进一步取代；R3，R4和R5相互独立地代表氢或C1-C6烷基；X1和X2相互独立地代表氮原子或CR2，但至少X1和X2中的一个代表氮原子；m为1；（ ）m基团可选地通过C1-C4烷基，卤素，羧基，羟基，C1-C4烷氧基，C1-C4-烷基羰氧基，氨基，单烷基或双烷基氨基或酰胺基n为0，1或2或其药学上可接受的盐，适用于作为治疗细菌感染的药物。
• TRICYCLIC ANTIBIOTICS
  申请人：Gaucher Bérangère

  公开号：US20120245345A1

  公开（公告）日：2012-09-27

  Compound of formula (I): wherein A1 represents —O—, —S— or —N—R3; A2 represents —CH 2 —, —O—, —N—R4, —C(═O)— or —CH(O—R4)—; A3 represents C 3 -C 8 cycloalkylene; saturated and unsaturated 4 to 8-membered heterocyclodiyl with 1, 2 or 3 heteroatoms selected from nitrogen, oxygen and sulphur, which group A3 is unsubstituted or substituted; A4 represents C 1 -C 4 alkylene, C 2 -C 4 alkenylene, >C═O or a group selected from —C 2 H 4 NH—, —C 2 H 4 O—, and —C 2 H 4 S— being linked to the adjacent NR5-group via the carbon atom; and G represents aryl or heteroaryl, which is un-substituted or substituted and R1 and R2 independently of one another, represent hydrogen or a substituent selected from hydroxy, halogen, mercapto, cyano, nitro, C 1 -C 6 alkyl, C 1 -C 6 alkoxy, C 1 -C 6 alkylthio, C 1 -C 6 alkylcarbonyloxy, C 1 -C 6 alkylsulfonyloxy, C 1 -C 6 heteroalkylcarbonyloxy, C5-C 6 heterocyclylcarbonyloxy, C 1 -C 6 heteroalkoxy, wherein heteroalkyl, heteroalkoxy groups or heterocyclyl comprise 1, 2 or 3 heteroatoms selected from nitrogen, oxygen and sulphur, in which substituents the alkyl moieties are unsubstituted or further substituted; R3, R4 and R5 independently of one another, represent hydrogen or C 1 -C 6 alkyl; X1 and X2 independently of one another, represent a nitrogen atom or CR2, with the proviso that at least one of X1 and X2 represents a nitrogen atom; m is 1; and the (CH2)m moiety is optionally substituted by C 1 -C 4 alkyl; halogen, carboxy, hydroxy, C 1 -C 4 alkoxy, C 1 -C 4 -alkylcarbonyloxy, amino, mono- or di-(C 1 -C 4 alkyl)amino or acylamino n is 0, 1 or 2 or pharmaceutically acceptable salt thereof are valuable for use as a medicament for the treatment of bacterial infections.

  化合物的公式（I）：其中A1代表—O—、—S—或—N—R3；A2代表—CH2—、—O—、—N—R4、—C（═O）—或—CH（O—R4）—；A3代表C3-C8环烷基、饱和和不饱和的4至8元杂环二基，其中1、2或3个杂原子选自氮、氧和硫，该基团A3未取代或取代；A4代表C1-C4烷基、C2-C4烯基、>C═O或从—C2H4NH—、—C2H4O—和—C2H4S—中选择的基团，通过碳原子与相邻的NR5基团连接；G代表芳基或杂芳基，未取代或取代，R1和R2独立地代表氢或来自羟基、卤素、硫醇基、氰基、硝基、C1-C6烷基、C1-C6烷氧基、C1-C6烷硫氧基、C1-C6烷基羰酸酯氧基、C1-C6烷基磺酸酯氧基、C1-C6杂烷基羰酸酯氧基、C5-C6杂环烷基羰酸酯氧基、C1-C6杂烷氧基，其中杂烷基、杂烷氧基或杂环烷基包含1、2或3个选自氮、氧和硫的杂原子，在这些取代基中，烷基基团未取代或进一步取代；R3、R4和R5独立地代表氢或C1-C6烷基；X1和X2独立地代表氮原子或CR2，但至少其中之一代表氮原子；m为1；（ ）m基团可选择地被C1-C4烷基、卤素、羧基、羟基、C1-C4烷氧基、C1-C4烷基羰酸酯氧基、氨基、单或双-(C1-C4烷基)氨基或酰胺基取代；n为0、1或2或其药学上可接受的盐，用作治疗细菌感染的药物。
• INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS
  申请人：Van Zandt Michael

  公开号：US20120083469A1

  公开（公告）日：2012-04-05

  Compounds according to Formula I and Formula II are potent inhibitors of Arginase I and II activity: where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , D, M, X, and Y are defined as set forth in the specification. The invention also provides pharmaceutical compositions of the compounds and methods of their use for treating or preventing a disease or a condition associated with arginase activity.

  根据公式I和公式II的化合物是Arginase I和II活性的有效抑制剂：其中R1，R2，R3，R4，R5，R6，R7，R8，R9，D，M，X和Y的定义如规范中所述。该发明还提供了这些化合物的制药组合物和使用它们治疗或预防与Arginase活性相关的疾病或病况的方法。