Methylcarbamidsaeure-<3>pyridylmethylester | 6457-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Methylcarbamidsaeure-<3>pyridylmethylester
• 英文别名: methyl-carbamic acid pyridin-3-ylmethyl ester；3-Pyridinylmethyl methylcarbamate；pyridin-3-ylmethyl N-methylcarbamate
• CAS: 6457-63-2
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: HMAGVXQGGQEWAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methylcarbamidsaeure-<3>pyridylmethylester 、 碘甲烷 以78%的产率得到
  参考文献：
  名称：

  BADAWI, A. M.;SUMMAN, A. M.;SELIEM, V. R.;HASSAN, A. M., ORIENT. J. CHEM., 4,(1988) N 1, 76-83

  摘要：

  DOI：
• 作为产物：
  描述：

  3-吡啶甲醇 、 异氰酸甲酯 以54%的产率得到
  参考文献：
  名称：

  BADAWI, A. M.;SUMMAN, A. M.;SELIEM, V. R.;HASSAN, A. M., ORIENT. J. CHEM., 4,(1988) N 1, 76-83

  摘要：

  DOI：

文献信息

• 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS
  申请人：Harrington Paul

  公开号：US20130137690A1

  公开（公告）日：2013-05-30

  The present invention relates to a novel class of 4-carboxybenzylamino derivatives. The 4-carboxybenzylamino compounds can be used to treat cancer. The 4-carboxybenzylamino compounds can also inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the 4-carboxybenzylamino derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the 4-carboxybenzylamino derivatives in vivo.

  本发明涉及一种新型的4-羧基苯甲基氨基衍生物。这些4-羧基苯甲基氨基化合物可用于治疗癌症。这些4-羧基苯甲基氨基化合物还可以抑制组蛋白去乙酰化酶，并适用于选择性诱导末端分化，阻止肿瘤细胞生长和/或凋亡，从而抑制这些细胞的增殖。因此，本发明的化合物在治疗具有肿瘤细胞增殖特征的患者中非常有用。本发明的化合物也可用于预防和治疗TRX介导的疾病，如自身免疫、过敏和炎症性疾病，以及中枢神经系统（CNS）疾病的预防和/或治疗，如神经退行性疾病。本发明还提供了包含4-羧基苯甲基氨基衍生物的药物组合物和这些药物组合物的安全剂量方案，这些方案易于遵循，并且在体内产生治疗有效量的4-羧基苯甲基氨基衍生物。
• SMALL MOLECULE ENTRY INHIBITORS
  申请人：Surleraux Dominique Louis

  公开号：US20090203743A1

  公开（公告）日：2009-08-13

  The present invention concerns the compounds having the formula N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof, wherein R 1 and R 8 each are H, optionally substituted C 1-6 alkyl, C 2-6 alkenyl, C 3-7 cycloalkyl, aryl, Het 1 , Het 2 ; R 1 may also be a radical of formula (R 11a R 11b )NC(R 10a R 10b )CR 9 —; t is 0, 1 or 2; R 2 is H or C 1-6 alkyl; L is —C(═O)—, —O—C(═O)—, —NR 8 —C(═O)—, —O—C 1-6 alkanediyl-C(═O)—, —NR 8 —C 1-6 alkanediyl-C(═O)—, —S(═O) 2 —, —O—S(═O) 2 —, —NR 8 —S(═O) 2 ; R 3 is C 1-6 alkyl, aryl, C 3-7 cycloalkyl, C 3-7 cycloalkylC 1-4 alkyl, or arylC 1-4 alkyl; R 4 is H, C 1-4 alkylOC(═O), carboxyl, aminoC(═O), mono- or di(C 1-4 alkyl)aminoC(═O), C 3-7 cycloalkyl, C 2-6 alkenyl, C 2-6 alkynyl or optionally substituted C 1-6 alkyl; A is C 1-6 alkanediyl, —C(═O)—, —C(═S)—, —S(═O) 2 —, C 1-6 alkanediyl-C(═O)—, C 1-6 alkanediyl-C(═S)— or C 1-6 alkanediyl-S(═O) 2 —; R 5 is H, OH, C 1-6 alkyl, Het 1 C 1-6 alkyl, Het 2 C 1-6 alkyl, optionally substituted amino-C 1-6 alkyl; R 6 is C 1-6 alkylO, Het 1 , Het 1 O, Het 2 , Het 2 O, aryl, arylO, C 1-6 alkyloxy-carbonylamino or amino; and in case -A- is other than C 1-6 alkanediyl then R 6 may also be C 1-6 alkyl, Het 1 C 1-4 alkyl, Het 1 OC 1-4 alkyl, Het 2 C 1-4 alkyl, Het 2 OC 1-4 alkyl, arylC 1-4 alkyl, arylOC 1-4 alkyl or aminoC 1-4 alkyl; whereby each of the amino groups in the definition of R 6 may optionally be substituted; R 5 and -A-R 6 taken together with the nitrogen atom to which they are attached may also form Het 1 or Het 2 ′ R 12 is H, —NH 2 , —NR 5 AR 6 , —C 1-6 alkyl or alkyl-W—R 14 , wherein said alkyl is optionally substituted with halogen, hydroxy, aryl, heteroaryl, Het 1 , Het 2 , or amino wherein said amino is optionally mono- or di-substituted with C 1-4 alkyl and R 13 is H, C 1-6 -alkyl, optionally substituted by aryl, Het 1 , Het 2 , hydroxy, halogen, amino whereby the amino group may be optionally be mono- or di-substituted with C 1-4 alkyl.
• US7317028B2
  申请人：——

  公开号：US7317028B2

  公开（公告）日：2008-01-08
• US7595343B2
  申请人：——

  公开号：US7595343B2

  公开（公告）日：2009-09-29
• US7838520B2
  申请人：——

  公开号：US7838520B2

  公开（公告）日：2010-11-23