trans-4-(aminomethyl)hexanecarboxylic acid benzyl ester | 20130-71-6

• 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: trans-4-(aminomethyl)hexanecarboxylic acid benzyl ester
• 英文别名: trans-4-Aminomethylcyclohexancarbonsaeure-benzylester；Benzyl-trans-4-(aminomethyl)cyclohexane-1-carboxylat；Tranexamsaeure-benzylester
• CAS: 20130-71-6
• 化学式: C15H21NO2
• InChiKey: GBGWPOKQKZFCOW-MQMHXKEQSA-N

物化性质

• 沸点：
  362.4±15.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  52.32
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  trans-4-(aminomethyl)hexanecarboxylic acid benzyl ester 在 钯 氢气 、 sodium acetate 、 三乙胺 、 三氟乙酸 作用下， 以 乙醇 为溶剂， 生成 (1S,4r)-4-((S,E)-7-benzyl-11,11-dimethyl-3,9-dioxo-10-oxa-2,4,5,8-tetraazadodec-5-en-1-yl)cyclohexane-1-carboxylic acid
  参考文献：
  名称：

  Automated synthesis of peptide C-terminal aldehydes

  摘要：

  DOI：

  10.1021/ja00034a082
• 作为产物：
  描述：

  tranexamic acid 、 苯甲醇 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以63%的产率得到trans-4-(aminomethyl)hexanecarboxylic acid benzyl ester
  参考文献：
  名称：

  [EN] DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS
  [FR] ADMINISTRATION DE COMPOSÉS ALCALOÏDES THÉRAPEUTIQUES

  摘要：

  所公开的是可在生物相关条件下（如体内水解）转化为美森布林的原药化合物，以及制备和使用这些化合物的相关方法。此外，还提供了分离出的间苯三酚立体异构体的稳定制备方法。

  公开号：

  WO2023076586A1

文献信息

• A-deoxy-a-aza derivatives of clavulanic acid, a process for their
  申请人：Beecham Group p.l.c.

  公开号：US04652560A1

  公开（公告）日：1987-03-24

  The compounds of the formula (II): ##STR1## or pharmaceutically acceptable salts or esters thereof wherein A is a hydrogen atom or an esterifying radical; X is an alkyl group of 1-12 carbon atoms optionally substituted by a hydroxy, amino, acylamino of C.sub.1-6 alkoxy group, which substituents are not on the carbon atom adjacent to the nitrogen atom; or a C.sub.5-7 cycloalkyl group; or a phenylalkyl group wherein the carbon atom content of the alkyl part is 1-6 and the phenyl part is optionally substituted with a fluorine, bromine, chlorine, C.sub.1-6 alkyl, or C.sub.1-6 alkoxy; with the proviso that when X represents an optionally substituted phenylalkyl group and A represents C.sub.1-3 alkyl, then the --CO.sub.2 A group is attached to the alkyl part of the phenylalkyl group; have been found to be .beta.-lactamase inhibitors and antibacterial agents. Their preparation and use is described.

  化学式（II）的化合物：##STR1## 或其药学上可接受的盐或酯，其中A是氢原子或酯化基团；X是1-12个碳原子的烷基，可选地被氢氧基，氨基，C.sub.1-6酰胺基或C.sub.1-6烷氧基取代，这些取代基不在氮原子相邻的碳原子上；或C.sub.5-7环烷基；或苯基烷基，其中烷基部分的碳原子含量为1-6，苯基部分可选地被氟，溴，氯，C.sub.1-6烷基或C.sub.1-6烷氧基取代；但是当X表示可选地取代的苯基烷基且A表示C.sub.1-3烷基时，-CO.sub.2 A基团附加在苯基烷基的烷基部分上；已被发现是β-内酰胺酶抑制剂和抗菌剂。它们的制备和使用被描述了。
• Inhibitors of thrombosis
  申请人：Corvas International, Inc.

  公开号：US05492895A1

  公开（公告）日：1996-02-20

  This invention relates to peptide aldehyde analogs that inhibit the thrombin or Factor Xa. The compounds are thought useful for preventing or treating conditions in mammal characterized by abnormal thrombosis.

  本发明涉及抑制凝血酶或因子Xa的肽醛类似物。这些化合物被认为对于预防或治疗哺乳动物中由异常血栓形成所特征的病症有用。
• Derivatives of clavulanic acid, a process for their preparation and
  申请人：Beecham Group p.l.c.

  公开号：US04539202A1

  公开（公告）日：1985-09-03

  The compounds of the formula (II): ##STR1## or pharmaceutically acceptable salts or esters thereof wherein A is a hydrogen atom or an esterifying radical; X is an alkyl group of 1-12 carbon atoms optionally substituted by a hydroxy, amino, acylamino of C.sub.1-6 alkoxy group, which substituents are not on the carbon atom adjacent to the nitrogen atom; or a C.sub.5-7 cycloalkyl group; or a phenylalkyl group wherein the carbon atom content of the alkyl part is 1-6 and the phenyl part is optionally substituted with a fluorine, bromine, chlorine, C.sub.1-6 alkyl, or C.sub.1-6 alkoxy; with the proviso that when X represents an optionally substituted phenylalkyl group and A represents C.sub.1-3 alkyl, then the --CO.sub.2 A group is attached to the alkyl part of the phenylalkyl group; have been found to be .beta.-lactamase inhibitors and antibacterial agents. Their preparation and use is described.

  化学式为(II)的化合物：##STR1## 或其药学上可接受的盐或酯，其中A是氢原子或酯化基团；X是1-12碳原子的烷基，可选择地被氢氧基，氨基，C.sub.1-6酰胺基或C.sub.1-6烷氧基取代，这些取代基不在与氮原子相邻的碳原子上；或是C.sub.5-7环烷基；或是苯基烷基，其中烷基部分的碳原子含量为1-6，苯基部分可选择地被氟，溴，氯，C.sub.1-6烷基或C.sub.1-6烷氧基取代；但是当X代表可选择地被取代的苯基烷基且A代表C.sub.1-3烷基时，--CO.sub.2 A基团附着在苯基烷基的烷基部分上；这些化合物被发现是β-内酰胺酶抑制剂和抗菌剂。它们的制备和使用被描述。
• Methionine sulfone and s-substituted cysteine sulfone derivatives as
  申请人：Corvas International, Inc.

  公开号：US05681844A1

  公开（公告）日：1997-10-28

  This invention relates to compounds which inhibit thrombin or factor Xa. The compounds contain an aldehyde functionality and a methionine sulfone or S-substituted cysteine sulfone residue. The compounds and their pharmaceutical compositions are useful for preventing thrombosis in mammals which are suspected of having a condition characterized by abnormal thrombosis.

  本发明涉及抑制凝血酶或因子Xa的化合物。该化合物含有醛官能团和甲硫氨酸磺酸或S-取代半胱氨酸磺酸残基。该化合物及其制药组合物可用于预防疑似存在异常血栓形成症状的哺乳动物的血栓形成。
• Trypsin inhibitors
  申请人：Corvas International, Inc.

  公开号：US05534498A1

  公开（公告）日：1996-07-09

  Novel compounds having activity against trypsin are disclosed. Specifically, novel peptide aldehyde analogues that have substantial potency and specificity as inhibitors of mammalian pancreatic trypsin are presented. The compounds are useful in the prevention and treatment of the tissue damage or destruction associated with pancreatitis.

  本发明揭示了具有对胰蛋白酶活性的新化合物。具体地，本发明提供了新的肽醛类似物，具有显著的效力和特异性，作为哺乳动物胰腺蛋白酶的抑制剂。这些化合物对于预防和治疗与胰腺炎相关的组织损伤或破坏非常有用。