TFA*GlyOMe

• 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
• 英文名称: TFA*GlyOMe
• 英文别名: methyl 2-aminoacetate TFA salt；methyl glycine, TFA salt；Methyl 2-aminoacetate;2,2,2-trifluoroacetic acid；methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
• 化学式: C₂HF₃O₂*C₃H₇NO₂
• 分子量: 203.118
• InChiKey: RADHRKPGERRDEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.25
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  89.6
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-苄氧羰基-L-苯丙氨酸 、 TFA*GlyOMe 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以65%的产率得到N-benzyloxycarbonyl-L-phenylalanylglycine methyl ester
  参考文献：
  名称：

  Discovery of Fluoromethylketone-Based Peptidomimetics as Covalent ATG4B (Autophagin-1) Inhibitors

  摘要：

  ATG4B or autophagin-1 is a cysteine protease that cleaves ATG8 family proteins. ATG4B plays essential roles in the autophagosome formation and the autophagy pathway. Herein we disclose the design and structural modifications of a series of fluoromethylketone (FMK)-based peptidomimetics as highly potent ATG4B inhibitors. Their structure activity relationship (SAR) and protease selectivity are also discussed.

  DOI：

  10.1021/acsmedchemlett.6b00208
• 作为产物：
  描述：

  BOC-甘氨酸甲酯 、 三氟乙酸 以 二氯甲烷 为溶剂， 生成 TFA*GlyOMe
  参考文献：
  名称：

  Asx 转弯类型的表征及其与 β 转弯的先天关系

  摘要：

  一个好的转折促进了另一个转折：Asx 转折，一种 H 键合的天冬酰胺残基的局部二级结构，使用激光光谱和相关模型肽的量子化学研究在气相中进行了研究。将这些模型与结晶蛋白质进行比较支持这样的前提，即 Asx 转角促进或稳定经典的 β-转角结构，甚至在 Asn 后跟 Gly 残基时促进 β-凸起。

  DOI：

  10.1002/chem.202104328

文献信息

• [EN] MONOCYCLIC N-ARYL HYDANTOIN MODULATORS OF ANDROGEN RECEPTOR FUNCTION<br/>[FR] MODULATEURS D'HYDANTOINE N-ARYL MONOCYCLIQUES DE LA FONCTION DU RECEPTEUR D'ANDROGENE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005049580A1

  公开（公告）日：2005-06-02

  The present invention relates to novel compounds useful in the treatment of androgen receptor associated conditions, such as age-related diseases, pharmaceutical compositions containing at least one of the compounds of the present invention and methods of treating a patient in need of therapy for an androgen receptor associated condition by administering a therapeutically effective amount of at least compound of the present invention.

  本发明涉及一种新型化合物，用于治疗与雄激素受体相关的疾病，如与年龄相关的疾病，包含至少一种本发明化合物的药物组合物，以及通过给予至少一种本发明化合物的治疗有效量来治疗需要治疗雄激素受体相关疾病的患者的方法。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：PROVOST FELLOWS & SCHOLARS COLLEGE OF THE HOLY UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN

  公开号：WO2016008946A1

  公开（公告）日：2016-01-21

  A compound of formula (I) or a pharmaceutically acceptable derivative thereof, (formula 1) wherein R1,R2, R3, R4, R5, X, m and n are defined in the specification; a process for preparing such compounds; a pharmaceutical composition comprising such compounds; and the use of such compounds in medicine.

  式（I）的化合物或其药学上可接受的衍生物（式1），其中R1、R2、R3、R4、R5、X、m和n在规范中定义；制备这种化合物的方法；包括这种化合物的药物组合物；以及这种化合物在医学中的用途。
• Synthesis of Fluorous and Nonfluorous Polycyclic Systems by One-Pot, Double Intramolecular 1,3-Dipolar Cycloaddition of Azomethine Ylides
  作者：Wei Zhang、Yimin Lu、Steven Geib

  DOI：10.1021/ol0507773

  日期：2005.5.1

  [reaction: see text]. Under microwave irradiation, a one-pot, double intramolecular [3 + 2]-cycloaddition reaction of azomethine ylides leads to formation of a novel hexacyclic ring system. The major diastereomer is isolated, and its stereochemistry is determined by X-ray crystal structure analysis.

  [反应：请参见文字]。在微波辐射下，偶氮甲亚胺的单锅双分子[3 + 2]分子内双环加成反应导致形成新的六环系统。分离出主要的非对映异构体，并通过X射线晶体结构分析确定其立体化学。
• Synthesis and activity profiles of new dermorphin-(1-4) peptide analogs
  作者：Mauro Marastoni、Severo Salvadori、Gianfranco Balboni、Pier Andrea Borea、Giuliano Marzola、Roberto Tomatis

  DOI：10.1021/jm00392a002

  日期：1987.9

  A new series of 12 dermorphin tetrapeptides, W-Tyr-D-MetO-Phe-Xaa-Y (W = H, H2NC = (NH); Xaa = Gly, Sar, D-Ala; Y = OH, OCH3, NH2) were prepared by traditional methods in solution and tested for opioid activity. In binding studies based on displacement of mu, delta, and kappa opioid receptor selective radiolabels from guinea pig brain membranes, the new analogues showed a negligible affinity for the kappa binding site and a preference for mu- over delta-receptors with an evident dependence on N- and/or C-terminal modifications; H-Tyr-D-MetO-Phe-Gly-OCH3 was shown to be one of the most selective mu-receptor ligands reported to date. All these tetrapeptides display dose-related naloxone-reversible antinociceptive effects following intracerebroventricular (icv) or subcutaneous (sc) administrations in mice. In comparison to morphine, H-Tyr-D-MetO-Phe-Sar-NH2 and the guanidino derivative H2NC = (NH)-Tyr-D-MetO-Phe-Gly-NH2 showed lower affinity for mu, delta, and kappa sites but exceptionally stronger analgesia: respectively they are 560 and 1550 times as potent an analgesic as morphine. Among analogues tested after sc administration, H-Tyr-D-MetO-Phe-Sar-NH2 and H-Tyr-D-MetO-Phe-D-Ala-OH displayed the highest activities; they were respectively 22 and 30 times more potent than morphine on a molar basis. These results indicate that N- or C-terminal modifications and substitution at position 2 or 4 of dermorphin-(1-4) peptide do not only influence the affinity of the resulting analogues to opioid receptors but also may favorably alter their pharmacokinetic properties.
• Nucleophilic Ring-Opening of Benzoxazinones by DBU: Some Observations
  作者：Sachin B. Baravkar、Arup Roy、Rupesh L. Gawade、Vedavati G. Puranik、Gangadhar J. Sanjayan

  DOI：10.1080/00397911.2014.910529

  日期：2014.10.18