L-tert-leucine methylamide hydrochloride

• 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: L-tert-leucine methylamide hydrochloride
• 英文别名: (2S)-2-Amino-N,3,3-trimethylbutanamide hydrochloride；(2S)-2-amino-N,3,3-trimethylbutanamide;hydrochloride
• 化学式: C₇H₁₆N₂O*ClH
• 分子量: 180.678
• InChiKey: MKINSHAGISCSSV-NUBCRITNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.61
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  56.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  L-tert-leucine methylamide hydrochloride 在 palladium dihydroxide 氰基磷酸二乙酯 、 1,4-环己二烯 、 水 、 三乙胺 、 三苯基膦 、 三氟乙酸 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 (R)-7-(4-Chloro-phenoxy)-3-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-heptanoic acid
  参考文献：
  名称：

  Inhibition of Matrix Metalloproteinases by Hydroxamates Containing Heteroatom-Based Modifications of the P1' Group

  摘要：

  In this study, structure-based drug design of matrix metalloproteinase inhibitors [human fibroblast collagenase (HFC), human fibroblast stromelysin (HFS), and human neutrophil collagenase (HNC)] was utilized in the development of potent hydroxamates which contain novel, heteroatom-based modifications of the P-1' group. A series containing a P-1' butyramide group resulted in a nanomolar potent and selective HNC inhibitor as well as a dual HFS/HNC inhibitor. Benzylic others with a four- or five-carbon methylene linker in the P-1' position also produced nanomolar potent HFS/HNC inhibition and micromolar potent HFC inhibition as expected. Surprisingly, the phenolic ethers of the same overall length as the benzylic ethers showed nanomolar potencies against HFC, as well as HFS and HNC. The potency profile of the phenolic ethers was optimized by structure-activity relationships of the phenolic group and the C-terminal amide. These inhibitors may help elucidate the in vivo roles of matrix metalloproteinases in normal and disease states.

  DOI：

  10.1021/jm00014a010
• 作为产物：
  描述：

  N-Boc-L-叔亮氨酸 在 盐酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 13.0h， 生成 L-tert-leucine methylamide hydrochloride
  参考文献：
  名称：

  吡啶基亚砜亚胺的催化对映选择性合成

  摘要：

  亚砜亚胺具有独特的化学和生物活性，在过去几十年中引起了极大的关注，而通过不对称催化合成它们的报道有限。我们报告了通过使用含天冬氨酸的肽催化剂对吡啶基亚砜亚胺进行去对称N-氧化来合成手性亚砜亚胺。以高达 99:1 的 er 获得各种单和双吡啶基亚砜亚胺氧化物。在底物上引入的导向基团高度增强了对映诱导，并且可以很容易地去除以产生游离的 N-H 亚砜亚胺。此外，具有甲酯和甲基酰胺C端保护基团的肽产生产物的相反对映异构体。提出了一种结合模型来解释这种现象。

  DOI：

  10.1021/jacs.1c04431

文献信息

• SUBSTITUTED PYRIDOXAZINES
  申请人：Newcom Jason S.

  公开号：US20090247502A1

  公开（公告）日：2009-10-01

  The invention provides compounds having the structure of formula I, and prodrugs, stereoisomers, racemates, salts, hydrates, solvates, acid salt hydrates and isomorphic crystalline forms thereof, wherein A, Y and the groups R 1 , R 2 , R 3 and R 4 are defined in the specification. These compounds can be administered in pharmaceutical formulations to modulate cannabinoid receptor activity for the prevention and treatment of a variety of diseases and conditions, including pain, inflammation and pruritis.

  该发明提供具有式I结构的化合物，以及它们的前药、立体异构体、混合物、盐、水合物、溶剂合物、酸盐水合物和同质晶形，其中A、Y以及基团R1、R2、R3和R4在说明书中有定义。这些化合物可以以药物配方形式给予，用于调节大麻素受体活性，预防和治疗各种疾病和症状，包括疼痛、炎症和瘙痒。
• Phosphinate based inhibitors of matrix metalloproteases
  申请人：Pfizer Inc.

  公开号：US06147061A1

  公开（公告）日：2000-11-14

  A compound of the formula ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6 and Ar are as defined above, useful in the treatment of a condition selected from the group consisting of arthritis, cancer, synergy with cytotoxic anticancer agents, tissue ulceration, macular degeneration, restenosis, periodontal disease, epidermolysis bullosa, scleritis, in combination with standard NSAID'S and analgesics and other diseases characterized by matrix metalloproteinase activity, AIDS, sepsis, septic shock and other diseases involving the production of TNF. In addition, the compounds of the present invention may be used in combination therapy with standard non-steroidal anti-inflammatory drugs (NSAID'S) and analgesics, and in combination with cytotoxic drugs such as adriamycin, daunomycin, cis-platinim, etoposide, taxol, taxotere and other alkaloids, such as vincristine, in the treatment of cancer.

  一种化合物的化学式为##STR1##其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5、R.sup.6和Ar如上所定义，用于治疗从以下疾病组中选择的疾病：关节炎、癌症、与细胞毒性抗癌药物的协同作用、组织溃疡、黄斑变性、再狭窄、牙周病、表皮溃疡性水疱病、巩膜炎、与标准NSAID'S和止痛药联合使用以及其他以基质金属蛋白酶活性为特征的疾病、艾滋病、败血症、感染性休克和其他涉及TNF产生的疾病。此外，本发明的化合物可与标准非甾体类抗炎药（NSAID'S）和止痛药联合用于组合疗法，并与顺铂、多柔比星、顺铂、依托泊苷、紫杉醇、多西他赛和其他生物碱（如长春碱）等细胞毒性药物联合用于癌症治疗。
• Synthesis of New Amino-Functionalized Porphyrins:Preliminary Study of Their Organophotocatalytic Activity
  作者：Pol Torres、Marian Guillén、Marc Escribà、Joaquim Crusats、Albert Moyano

  DOI：10.3390/molecules28041997

  日期：——

  readily available chiral amines. A preliminary study of the possible use of Type A amine-porphyrin hybrids as asymmetric, bifunctional organophotocatalysts was performed using the chiral, imidazolidinone-catalyzed Diels-Alder cycloaddition between cyclopentadiene 28 and trans-cinnamaldehyde 29 as a benchmark reaction. The yield and the stereochemical outcome of this process, obtained under purely organocatalytic

  描述了氨基功能化卟啉作为一类新型双功能催化剂用于不对称有机光催化的设计、合成和初步研究。衍生自 5,10,15,20-四苯基卟啉 (TPPH2) 的两种新型胺-卟啉杂化物，其中环状仲胺部分共价连接至 β-吡咯位置（A 型）或对位内消旋苯基之一（B型）的结构是通过合适的卟啉（甲酰基或甲胺衍生物）与容易获得的手性胺的缩合、还原胺化或酰胺化反应来制备的。使用环戊二烯 28 和反式肉桂醛 29 之间的手性咪唑烷酮催化的第尔斯-阿尔德环加成反应作为基准反应，对 A 型胺-卟啉杂化物作为不对称双功能有机光催化剂的可能用途进行了初步研究。比较了在纯有机催化条件下、在双有机光催化条件下和在双功能有机光催化条件下获得的该过程的产率和立体化学结果。
• Verfahren zur Herstellung von Aminosäuren und Aminosäurederivaten
  申请人：Degussa-Hüls Aktiengesellschaft

  公开号：EP0976721A2

  公开（公告）日：2000-02-02

  Die vorliegende Erfindung richtet sich auf ein chemisches Verfahren zur Herstellung von Verbindungen der allgemeinen Formel (I) ausgehend von Verbindungen der allgemeinen Formel (II) und (III) unter radikalischen Bedingungen. Die Produkte I werden als Intermediate in der Synthese bioaktiver Wirkstoffe eingesetzt.

  本发明涉及一种制备通式(I)化合物的化学工艺 的化学工艺。 在自由基条件下制备通式（I）化合物的化学工艺。产物 I 可用作合成生物活性剂的中间体。
• Matrix Metalloproteinase Inhibitors:  A Structure−Activity Study
  作者：Daniel E. Levy、France Lapierre、Weisheng Liang、Wenqing Ye、Christopher W. Lange、Xiaoyuan Li、Damian Grobelny、Marie Casabonne、David Tyrrell、Kevin Holme、Alex Nadzan、Richard E. Galardy

  DOI：10.1021/jm970494j

  日期：1998.1.1

  Modifications around the dipeptide-mimetic core of a hydroxamic acid based matrix metalloproteinase inhibitor were studied. These variations incorporated a variety of natural, unnatural, and synthetic amino acids in addition to modifications of the P1' and P3' substituents. The results of this study indicate the following structural requirements: (1) Two key hydrogen bonds must be present between the enzyme and potent substrates. (2) Potent inhibitors must possess strong zinc-binding functionalities. (3) The potential importance of the hydrophobic group at position R3 as illustrated by its ability to impart greater relative potency against stromelysin when larger hydrophobic groups are used. (4) Requirements surrounding the nature of the amino acid appear to be more restrictive for stromelysin than for neutrophil collagenase, 72 kDa gelatinase, and 92 kDa gelatinase. These requirements may involve planar fused-ring aryl systems and possibly hydrogen-bonding capabilities.