Boc-(Nall)Phe-OH | 79638-37-2

• 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: Boc-(Nall)Phe-OH
• 英文别名: Nα-t-Butyloxycarbonyl-Nα-allyl-L-phenylalanine；(S)-2-[N-(t-butoxycarbonyl)-allylamino]-3-phenyl-propioic acid；N-allyl-N-tert-butoxycarbonyl-(S)-phenylalanine；(S)-2-[N-(t-Butoxycarbonyl)-allylamino]-3-phenyl-propionic acid；(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-phenylpropanoic acid
• CAS: 79638-37-2
• 化学式: C₁₇H₂₃NO₄
• 分子量: 305.374
• InChiKey: QYISNZUXBJZWRB-AWEZNQCLSA-N

物化性质

• 沸点：
  431.1±44.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Boc-(Nall)Phe-OH 生成 Nα-t-Butyloxycarbonyl-Nα-allyl-L-phenylalanine Amide
  参考文献：
  名称：

  SHUMAN, R. T.

  摘要：

  DOI：
• 作为产物：
  描述：

  N-allylated phenylalanine methyl ester 在 sodium hydroxide 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 9.0h， 生成 Boc-(Nall)Phe-OH
  参考文献：
  名称：

  Synthesis of Cyclic Dipeptides by Ring-Closing Metathesis

  摘要：

  Several cyclic dipeptides (4a-g and 9a-c) have been synthesized by "amide-to-amide" cyclization of 2a-g and 8a-c, respectively, by means of ring-closing metathesis employing the Grubbs ruthenium catalyst. The influence of additives as well as the length of the amide substituent were studied. Best yields were obtained by cyclization in solution with either lithium fluoroacetate or alpha,alpha-dichlorotoluene as an additive.

  DOI：

  10.1002/1099-0690(200006)2000:12<2335::aid-ejoc2335>3.0.co;2-c

文献信息

• Inhibitors of interleukin-1.beta. converting enzyme
  申请人：Vertex Pharmaceuticals, Incorporated

  公开号：US05847135A1

  公开（公告）日：1998-12-08

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1.beta. converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently, may be advantageously used as agents against interleukin-1 mediated diseases, including inflammatory diseases, autoimmune diseases and neurodegenerative diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.

  本发明涉及一类新型化合物，它们是白细胞介素-1β转化酶（ICE）的抑制剂。本发明的ICE抑制剂具有特定的结构和理化特性。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适合抑制ICE活性，因此可作为治疗由白细胞介素-1介导的疾病的有效药物，包括炎症性疾病、自身免疫性疾病和神经退行性疾病。本发明还涉及抑制ICE活性的方法以及使用本发明的化合物和组合物治疗由白细胞介素-1介导的疾病的方法。
• Pharmacologically active peptides
  申请人：Eli Lilly and Company

  公开号：US04283330A1

  公开（公告）日：1981-08-11

  Compounds of the formula ##STR1## and pharmaceutically acceptable non-toxic acid addition salts thereof, in which L and D define the chirality; R.sub.1 is hydrogen or C.sub.1 -C.sub.3 primary alkyl; R.sub.2 is C.sub.1 -C.sub.4 primary or secondary alkyl, allyl, cyclopropylmethyl, C.sub.1 -C.sub.2 hydroxyalkyl, or --(CH.sub.2).sub.m --U--CH.sub.3 in which U is --S-- or >S--O and m is 1 or 2; R.sub.3 is cyclopropylmethyl or allyl; and Z is --CH.sub.2 OR.sub.4, ##STR2## in which R.sub.4 is hydrogen, acetyl, or acetoxymethyl and R.sub.5 is C.sub.1 -C.sub.3 alkyl; are useful analgesic agents.

  该公式化合物及其药用可接受的无毒酸盐，其中L和D定义手性；R.sub.1是氢或C.sub.1-C.sub.3初级烷基；R.sub.2是C.sub.1-C.sub.4初级或次级烷基，烯丙基，环丙基甲基，C.sub.1-C.sub.2羟基烷基，或--(CH.sub.2).sub.m --U--CH.sub.3，其中U是--S--或>S--O，m为1或2；R.sub.3是环丙基甲基或烯丙基；Z是--CH.sub.2 OR.sub.4，##STR2##其中R.sub.4是氢，乙酰基或乙酰氧甲基，R.sub.5是C.sub.1-C.sub.3烷基；这些化合物是有用的镇痛剂。
• Substituted alkyldiamine derivatives
  申请人：Merrell Pharmaceuticals Inc.

  公开号：US05597845A1

  公开（公告）日：1997-01-28

  The present invention relates to novel substituted alkyldiamine derivatives and pharmaceutically acceptable salts thereof which are useful tachykinin antagonists. Such antagonists are useful in the treatment of tachykinin-mediated diseases and conditions including asthma, cough, and bronchitis.

  本发明涉及新型取代基烷基二胺衍生物及其药学上可接受的盐，其是有效的速激肽拮抗剂。这种拮抗剂对于治疗速激肽介导的疾病和情况，包括哮喘、咳嗽和支气管炎等非常有效。
• Substituted piperazine derivatives
  申请人：Hoechst Marion Roussel, Inc.

  公开号：US05672602A1

  公开（公告）日：1997-09-30

  The present invention relates to substituted piperazine derivatives (herein referred to as compounds or compounds of formula (1)) or stereoisomers, or pharmaceutically acceptable salts thereof and their use as tachykinin receptor antagonists. Such antagonists are useful in the treatment of tachykinin-mediated diseases and conditions disclosed herein including: asthma, cough, and bronchitis.

  本发明涉及取代哌嗪衍生物（以下简称为化合物或式（1）的化合物）或其立体异构体或药学上可接受的盐，以及它们作为快速肽受体拮抗剂的用途。这种拮抗剂在治疗本文中披露的快速肽介导的疾病和病况中是有用的，包括哮喘、咳嗽和支气管炎。
• Inhibitors of interleukin-1 beta converting enzyme
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20020099042A1

  公开（公告）日：2002-07-25

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1&bgr; converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently, may be advantageously used as agents against interleukin-1 mediated diseases, including inflammatory diseases, autoimmune diseases and neurodegenerative diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.

  本发明涉及一种新型化合物类别，其为白细胞介素-1β转化酶抑制剂。本发明的ICE抑制剂具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制ICE活性，因此可以优势地用作对白细胞介素-1介导的疾病，包括炎症性疾病、自身免疫疾病和神经退行性疾病的治疗剂。本发明还涉及使用本发明的化合物和组合物抑制ICE活性的方法和治疗白细胞介素-1介导疾病的方法。