3,5-二碘-L-酪氨酸甲酯盐酸盐(1:1) | 151266-48-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3,5-二碘-L-酪氨酸甲酯盐酸盐(1:1)
• 英文名称: L-Diiodotyrosine methyl ester hydrochloride
• 英文别名: 3,5-diiodo-L-tyrosine methyl ester hydrochloride；diiodotyrosine methyl ester hydrochloride；3,5-Dijod-L-tyrosin-methylester; Hydrochlorid；3,5-Diiodotyrosine methyl ester hydrochloride, L-；methyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate;hydrochloride
• CAS: 151266-48-7
• 化学式: C₁₀H₁₁I₂NO₃*ClH
• 分子量: 483.472
• InChiKey: RAXWZGMSMQUDTR-QRPNPIFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.07
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-二碘-L-酪氨酸甲酯盐酸盐(1:1) 在 sodium methylate 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 为溶剂， 反应 11.0h， 生成
  参考文献：
  名称：

  Nawwar, Galal A. M.; Shalabi, Ahmed M.; Ahmed, Sayed A. H., Journal of Chemical Research, Miniprint, 1993, # 7, p. 1533 - 1551

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 3,5-二碘-L-酪氨酸 在 氯化亚砜 作用下， 反应 16.17h， 以98%的产率得到3,5-二碘-L-酪氨酸甲酯盐酸盐(1:1)
  参考文献：
  名称：

  Structure–Activity Relationships of cyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct

  摘要：

  A series of analogues of cyclo(L-tyrosyl-L-tyrosine), the substrate of the Mycobacterium tuberculosis enzyme CYP121, have been synthesized and analyzed by UV-vis and electron paramagnetic resonance spectroscopy and by X-ray crystallography. The introduction of iodine substituents onto cyclo(L-tyrosyl-L-tyrosine) results in sub-mu M binding affinity for the CYP121 enzyme and a complete shift to the high-spin state of the heme Fe-III. The introduction of halogens that are able to interact with heme groups is thus a feasible approach to the development of next-generation, tight binding inhibitors of the CYP121 enzyme, in the search for novel antitubercular compounds.

  DOI：

  10.1021/acs.jmedchem.9b01199

文献信息

• N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS
  申请人：——

  公开号：US20010020097A1

  公开（公告）日：2001-09-06

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及一种抑制β-淀粉样肽释放和/或其合成的化合物，因此在治疗阿尔茨海默病方面具有用途。还公开了包括抑制β-淀粉样肽释放和/或其合成的化合物的药物组合物，以及使用这种药物组合物预防和治疗阿尔茨海默病的方法。
• Compounds which inhibit leukocyte adhesion mediated by VLA-4
  申请人：——

  公开号：US20040006093A1

  公开（公告）日：2004-01-08

  Disclosed are compounds which bind VLA-4. Certain of these compounds also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  本发明涉及一种能够结合VLA-4的化合物。其中某些化合物还能够抑制白细胞粘附，特别是通过VLA-4介导的白细胞粘附。这些化合物在哺乳动物患者（例如人类）的炎症性疾病治疗中非常有用，例如哮喘、阿尔茨海默病、动脉硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些化合物也可以用于治疗多发性硬化等炎症性脑部疾病。
• N-(aryl/heteroaryl) amino acid derivatives, pharmaceutical compositions comprising same, and methods for inhibiting &bgr;-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：Athena Neurosciences, Inc.

  公开号：US06495693B2

  公开（公告）日：2002-12-17

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明揭示了一些化合物，它们能够抑制&bgr;-淀粉样肽的释放和/或合成，因此具有治疗阿尔茨海默病的用途。同时，还揭示了包含抑制&bgr;-淀粉样肽释放和/或合成的化合物的制药组合物，以及使用这种制药组合物预防和治疗阿尔茨海默病的方法。
• US6096782
  申请人：——

  公开号：——

  公开（公告）日：——
• Shalaby; El-Eraky, Il Farmaco, 1997, vol. 52, # 2, p. 83 - 87
  作者：Shalaby、El-Eraky

  DOI：——

  日期：——