4-Cbz-2-羟基甲基吗啉 | 135782-20-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-Cbz-2-羟基甲基吗啉
• 中文别名: 4-CBZ-2-羟基甲基吗啉
• 英文名称: benzyl 2-(hydroxymethyl)morpholine-4-carboxylate
• 英文别名: 2-Hydroxymethyl-4-benzyloxycarbonyl-morpholine
• CAS: 135782-20-6
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: JQVTXHHMCVAPDT-UHFFFAOYSA-N

物化性质

• 沸点：
  413.0±40.0 °C(Predicted)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-Cbz-2-羟基甲基吗啉 在 palladium on activated charcoal 氢气 作用下， 生成 2-吗啉羧酸甲酯
  参考文献：
  名称：

  The synthesis of 2-morpholine carboxylic acid derivatives and their elaboration to 1-aza-4-oxabicyclo[3.3.1]nonan-6-one.

  摘要：

  Two syntheses of novel 2-morpholine carboxylic acid derivatives are described. The esters were converted into 1-aza-4-oxabicyclo[3.3.1]nonan-6-one, the first example of this ring system, which was further elaborated to the ortho-methoxy benzamide derivative (2).

  DOI：

  10.1016/s0040-4039(00)79702-4
• 作为产物：
  描述：

  (4-苄基吗啉-2-基)甲醇 、 氯甲酸苄酯 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 生成 4-Cbz-2-羟基甲基吗啉
  参考文献：
  名称：

  The synthesis of 2-morpholine carboxylic acid derivatives and their elaboration to 1-aza-4-oxabicyclo[3.3.1]nonan-6-one.

  摘要：

  Two syntheses of novel 2-morpholine carboxylic acid derivatives are described. The esters were converted into 1-aza-4-oxabicyclo[3.3.1]nonan-6-one, the first example of this ring system, which was further elaborated to the ortho-methoxy benzamide derivative (2).

  DOI：

  10.1016/s0040-4039(00)79702-4

文献信息

• Src kinase inhibitor compounds
  申请人：Merck & Co., Inc.

  公开号：US06498165B1

  公开（公告）日：2002-12-24

  Pyrimidine compounds (Formula I), or their pharmaceutically acceptable salts, hydrates, solvates, crystal forms and individual diastereomers, and pharmaceutical compositions including the same, which are inhibitors of tyrosine kinase enzymes, and as such are useful in the prophylaxis and treatment of protein tyrosine kinase-associated disorders, such as immune diseases, hyperproliferative disorders and other diseases in which inappropriate protein kinase action is believed to play a role, such as cancer, angiogensis, atheroscelerosis, graft rejection, rheumatoid arthritis and psoriasis.

  嘧啶化合物（化学式I），或其药用可接受的盐、水合物、溶剂合物、晶型和单一对映异构体，以及包括这些化合物的药物组合物，它们是酪氨酸激酶酶的抑制剂，因此在预防和治疗蛋白酪氨酸激酶相关疾病方面具有用处，如免疫疾病、高增殖性疾病和其他认为不当的蛋白激酶作用可能起作用的疾病，如癌症、血管生成、动脉粥样硬化、移植排斥、类风湿性关节炎和牛皮癣。
• [EN] HETEROCYCLIC SUBSTITUTED UREAS, FOR USE AGAINST CANCER<br/>[FR] URÉES SUBSTITUÉES HÉTÉROCYCLIQUES, DESTINÉES À ÊTRE UTILISÉES CONTRE LE CANCER
  申请人：ARTIOS PHARMA LTD

  公开号：WO2020030925A1

  公开（公告）日：2020-02-13

  The application relates to heterocyclic urea derivatives and their use in the treatment and prophylaxis of cancer, and to compositions containing said derivatives and processes for their preparation.

  该应用涉及杂环脲衍生物及其在癌症治疗和预防中的应用，以及含有这些衍生物的组合物和它们的制备方法。
• SRC kinase inhibitor compounds
  申请人：Merck & Co., Inc.

  公开号：US06316444B1

  公开（公告）日：2001-11-13

  Pyrimidine compounds (Formula I), or their pharmaceutically acceptable salts, hydrates, solvates, crystal forms and individual diastereomers, and pharmaceutical compositions including the same, which are inhibitors of tyrosine kinase enzymes, and as such are useful in the prophylaxis and treatment of protein tyrosine kinase-associated disorders, such as immune diseases, hyperproliferative disorders and other diseases in which inappropriate protein kinase action is believed to play a role, such as cancer, angiogensis, atheroscelerosis, graft rejection, rheumatoid arthritis and psoriasis.

  嘌呤类化合物（化学式I），或其药用可接受的盐、水合物、溶剂合物、晶体形式和各个对映体，以及包括这些化合物的药物组合物，它们是酪氨酸激酶酶抑制剂，因此在预防和治疗蛋白质酪氨酸激酶相关疾病方面具有用途，如免疫疾病、高增殖性疾病和其他疾病中，不适当的蛋白质激酶作用被认为起作用，如癌症、血管生成、动脉粥样硬化、移植排斥、类风湿性关节炎和牛皮癣。
• [EN] AZAQUINAZOLINE PAN-KRAS INHIBITORS<br/>[FR] INHIBITEURS PAN-KRAS D'AZAQUINAZOLINE
  申请人：MIRATI THERAPEUTICS INC

  公开号：WO2022132200A1

  公开（公告）日：2022-06-23

  The present invention relates to compounds that inhibit at least one of KRas G12A, KRas G12C, KRas G12D, KRas G12R, KRas G12S, KRas G12V, KRas G13D and KRas Q61H, pharmaceutical compositions comprising the compounds and methods of use therefor.

  本发明涉及抑制KRas G12A、KRas G12C、KRas G12D、KRas G12R、KRas G12S、KRas G12V、KRas G13D和KRas Q61H中至少一个的化合物，包括该化合物的药物组合物和使用方法。
• Oxa-, thia- and diazabicycloalkane derivatives, process for their preparation and their use as pharmaceuticals
  申请人：BEECHAM GROUP PLC

  公开号：EP0226267A1

  公开（公告）日：1987-06-24

  Compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein: j is 0 or 1; q is 0, 1 or 2; p is 0 and r is 2 or 3, or p is 1 and r is 2; X is 0, S, SO or NR where R is hydrogen, C1-6 alkyl or C1-10 carboxylic acyl; Y is NH; or 0 when R, is hydrogen; either R, is C1-6 alkoxy and one of R2, R3 and R4 is hydrogen and the other two are selected from hydrogen, halogen, CF3, C1-6 alkylthio, C1-7 acyl, C1-10 carboxylic acyiamino, C1-6 alkyl S(O)n wherein n is 0, or 2, nitro or amino, aminocarbonyl or aminosulphonyl optionally substituted by one or two groups selected from C1-6 alkyl, C3-8 cycloalkyl, C3-8 cycloalkyl, C3-8 cycloalkyl C1-4 alkyl or phenyl C1-4 alkyl groups any of which phenyl moieties may be substituted by one or two groups selected from halogen, CF3, C1-6 alkyl or C1-6 alkoxy; or R, is hydrogen and R2, R3 and R4 are independently selected from hydrogen; C1-6 alkyl. hydroxy, C1-6 alkoxy, C1-6 alkylthio or halo; or any two on adjacent carbon atoms together are C1-2 alkylenedioxy and the third is hydrogen, C1-6 alkyl, C1-6 alkoxy or halo; one of R5 and R6 is hydrogen, C1-6 alkyl, phenyl or phenyl-C1-6 alkyl, which phenyl moieties may be substituted by C1-6 alkyl, C1-6 alkoxy or haiogen; and the other is hydrogen or C1-6 alkyl; and R7 is hydrogen, C, alkyl, phenyl or phenyl-C1-3 alkyl, which phenyl moieties may be substituted by C1-6 alkyl, C1-6 alkoxy, CF3 or halogen having gastric motility enhancing activity, anti-emetic activity and/or 5-HT receptor ant. agonist activity, a process and intermediates for their preparation and their use as pharmaceuticals.

  式 (I) 的化合物或其药学上可接受的盐： 其中 j 为 0 或 1 q 是 0、1 或 2 p 为 0，r 为 2 或 3，或 p 为 1，r 为 2； X 是 0、S、SO 或 NR，其中 R 是氢、C1-6 烷基或 C1-10 羧酰基； 当 R 为氢时，Y 为 NH；当 R 为氢时，Y 为 0；当 R 为 C1-6 烷氧基，且 R2、R3 和 R4 中的一个为氢，另两个选自氢、卤素、CF3、C1-6 烷硫基、C1-7 乙酰基、C1-10 羧酰基氨基、C1-6 烷基 S(O)n 时，Y 为 0。 烷基 S(O)n，其中 n 为 0 或 2；硝基或氨基、氨基羰基或氨基磺酰基，可任选被一个或两个选自 C1-6 烷基、C3-8 环烷基、C3-8 环烷基、C3-8 环烷基 C1-4 烷基或苯基 C1-4 烷基的基团取代，其中任何苯基基团可被一个或两个选自卤素、CF3、C1-6 烷基或 C1-6 烷氧基的基团取代；或 R 为氢，R2、R3 和 R4 独立选自氢、C1-6 烷基R5和R6中的一个是氢、C1-6烷基、苯基或苯基-C1-6烷基，其中苯基可被C1-6烷基、C1-6烷氧基或硫代卤素取代；另一个是氢或C1-6烷基。 R7 是氢、C、烷基、苯基或苯基-C1-3 烷基，其中苯基可被 C1-6 烷基、C1-6 烷氧基、CF3 或卤素取代，具有胃动力增强活性、止吐活性和/或 5-HT 受体拮抗剂活性，以及制备它们的工艺和中间体及其作为药物的用途。