3-[[(1,1-二甲基乙氧基)羰基]氨基]-戊酸 | 557091-78-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-[[(1,1-二甲基乙氧基)羰基]氨基]-戊酸
• 英文名称: N-(tert-butoxycarbonyl)-3-aminopentanoic acid
• 英文别名: 3-(Boc-amino)pentanoic acid；3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
• CAS: 557091-78-8
• 化学式: C₁₀H₁₉NO₄
• 分子量: 217.265
• InChiKey: RJCHFHWEJSMOJW-UHFFFAOYSA-N

物化性质

• 沸点：
  353.0±25.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2924199090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  N-{4-(3-aminophenyl)-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]pyridin-2-yl}furan-2-carboxamide 、 3-[[(1,1-二甲基乙氧基)羰基]氨基]-戊酸 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 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 120.0h， 生成
  参考文献：
  名称：

  2-Acylamino-4,6-diphenylpyridine derivatives as novel GPR54 antagonists with good brain exposure and in vivo efficacy for plasma LH level in male rats

  摘要：

  GPR54 is a G protein-coupled receptor (GPCR) which was formerly an orphan receptor. Recent functional study of GPR54 revealed that the receptor plays an essential role to modulate sex-hormones including GnRH. Thus, antagonists of GPR54 are expected to be novel drugs for sex-hormone dependent diseases such as prostate cancer or endometriosis. We recently reported 2-acylamino-4,6-diphenylpyridines as the first small molecule GPR54 antagonists with high potency. However, the representative compound 1 showed low brain exposure, where GPR54 acts as a modulator of gonadotropins by binding with its endogenous ligand, metastin. In order to discover compounds that have not only potent GPR54 antagonistic activity but also good brain permeability, we focused on converting the primary amine on the side chain to a secondary or tertiary amine, and finally we identified 15a containing a piperazine group. This compound exhibited high affinity to human and rat GPR54, apparent antagonistic activity, and high brain exposure. In addition, intravenous administration of 15a to castrated male rat suppressed plasma LH level, which indicates the possibility of a small molecule GPR54 antagonist as a novel drug for sex-hormone dependent diseases. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.05.061
• 作为产物：
  描述：

  (2S,3S)-5-Amino-heptane-2,3-diol 在 ruthenium trichloride 、 sodium periodate 作用下， 生成 3-[[(1,1-二甲基乙氧基)羰基]氨基]-戊酸
  参考文献：
  名称：

  通过手性异恶唑啉简洁合成 β-氨基酸

  摘要：

  β-氨基酸是重要的合成目标，因为它们存在于各种天然产物、药物制剂和蛋白质结构基序的模拟物中。虽然含有成对取代模式的 β-氨基酸在这些情况下具有巨大的应用潜力，但对此类化合物的立体选择性制备的合成挑战迄今为止限制了更完整的研究。我们在这里提出了一种使用手性异恶唑啉作为关键中间体的直接方法，以优异的选择性获得五种不同的 β-氨基酸结构类型。特别值得注意的是使用这种方法来制备高度取代的顺-β-脯氨酸类似物。

  DOI：

  10.1021/ja0431713

文献信息

• [EN] SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE<br/>[FR] INHIBITEURS SPÉCIFIQUES DE LA MÉTHIONYL-TARN SYNTHÉTASE
  申请人：UNIV WASHINGTON

  公开号：WO2016029146A1

  公开（公告）日：2016-02-25

  The present disclosure is generally directed to compositions useful in the inhibition of MetRS and methods for treating diseases that are ameliorated by the inhibition of MetRS.

  本公开涉及的是通常用于抑制MetRS的组合物和治疗通过抑制MetRS改善的疾病的方法。
• ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS
  申请人：Wortmann Lars

  公开号：US20080287493A1

  公开（公告）日：2008-11-20

  The present invention relates to arylmethylen substituted N-acyl-Y-aminoalcohols of the general formula I in which Q, X, W, R1, R2, R3, R4 and R5 have the meaning as defined in the description. The compounds according to the invention are effective FSH modulators and can be used for example for fertility regulation in men or in women.

  本发明涉及一般式I的芳基亚甲基取代的N-酰基-Y-氨基醇，其中Q、X、W、R1、R2、R3、R4和R5的含义如描述中所定义。根据本发明的化合物是有效的FSH调节剂，例如可用于男性或女性的生育调节。
• PYRIDYLPHENOL COMPOUND AND USE THEREOF
  申请人：Sasaki Satoshi

  公开号：US20090156646A1

  公开（公告）日：2009-06-18

  The present invention provides a compound which has metastin receptor antagonist activity and is useful for preventing and treating hormone-dependent cancer, benign prostatomegaly, endometriosis, precocious puberty, uterine myoma or the like. More specifically, the present invention provides a compound, represented by the formula: or a salt thereof, a prodrug thereof, and a pharmaceutical agent containing the same; wherein Ring A represents a 5- to 8-membered homocyclic or heterocyclic group optionally having a substituent other than formula —X-R 1 wherein X represents a bond or a spacer, and R 1 represents optionally substituted amino or an optionally substituted nitrogen-containing heterocyclic group; Ring B represents an optionally substituted benzene ring; R 2 represents an optionally substituted homocyclic or heterocyclic group; and R 3 and R 4 independently represent a hydrogen atom, cyano, acyl or an optionally substituted hydrocarbon group.

  本发明提供了一种具有转移素受体拮抗活性的化合物，可用于预防和治疗激素依赖性癌症、良性前列腺增生、子宫内膜异位症、早熟、子宫肌瘤等。更具体地，本发明提供了一种化合物，其表示为以下公式：或其盐、前药及含有该化合物的药物制剂；其中环A表示一个5-至8-成员的同环或异环族群，可选地具有除公式—X-R1以外的取代基，其中X表示键或空间组分，而R1表示可选地取代的氨基或可选地取代的含氮杂环族群；环B表示可选地取代的苯环；R2表示可选地取代的同环或异环族群；而R3和R4独立地表示氢原子、氰基、酰基或可选地取代的碳氢基团。
• Specific inhibitors of methionyl-tRNA synthetase
  申请人：UNIVERSITY OF WASHINGTON

  公开号：US10913736B2

  公开（公告）日：2021-02-09

  The present disclosure is generally directed to compositions useful in the inhibition of MetRS and methods for treating diseases that are ameliorated by the inhibition of MetRS.

  本公开总体上涉及可用于抑制 MetRS 的组合物，以及通过抑制 MetRS 改善疾病的治疗方法。
• A Concise Approach to Structurally Diverse β-Amino Acids
  作者：Aaron R. Minter、Amelia A. Fuller、Anna K. Mapp

  DOI：10.1021/ja0298747

  日期：2003.6.1

  We have demonstrated that the high yields and selectivities of 1,3-dipolar cycloadditions can be translated into facile stereoselective syntheses of a diverse array of beta-amino acids, key components of bioactive natural products, beta-lactams, and peptidomimetics. Simply by selecting different combinations of three readily available starting materials (an oxime, a chiral allylic alcohol, and a nucleophile), we used the reaction sequence to prepare four different beta-amino acid structural types with a variety of substitution patterns in good overall yield. Of particular note is the use of this approach to prepare highly substituted beta-amino acids not readily accessible by previously reported methodologies. This will pave the way for future studies of the structure and function of this important class of molecules.