S-tritylhomocysteine | 69955-57-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: S-tritylhomocysteine
• 英文别名: (2S)-2-amino-4-(tritylsulfanyl)butanoic acid；S-triphenylmethyl-L-homocysteine；(S)-2-amino-4-tritylsulfanyl-butyric acid；(2S)-2-amino-4-tritylsulfanylbutanoic acid
• CAS: 69955-57-3
• 化学式: C₂₃H₂₃NO₂S
• 分子量: 377.507
• InChiKey: UXPCZHNBGISJOQ-NRFANRHFSA-N

物化性质

• 沸点：
  544.4±50.0 °C(Predicted)
• 密度：
  1.212±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  88.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  S-tritylhomocysteine 在 氨 、 sodium 作用下， 反应 1.0h， 以52%的产率得到L-高半胱氨酸
  参考文献：
  名称：

  The first asymmetric syntheses of l-homocysteine and l-homocystine

  摘要：

  Asymmetric syntheses of L-homocysteine 1 and L-homocystine 2 are described. Alkylation of the carbanion derived from Schollkopf reagent 3 and ensuing hydrolyses gave S-triphenylmethyl-L-homocysteine 6, Removal of the triphenylmethyl group gave L-homocysteine 1 and subsequent oxidation provided L-homocystine 2. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00453-x
• 作为产物：
  描述：

  2-bromoethyl triphenylmethyl sulfide 在 1,3-二甲基-2-咪唑啉酮 、 盐酸 、 lithium hydroxide 、 正丁基锂 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 为溶剂， 反应 29.75h， 生成 S-tritylhomocysteine
  参考文献：
  名称：

  The first asymmetric syntheses of l-homocysteine and l-homocystine

  摘要：

  Asymmetric syntheses of L-homocysteine 1 and L-homocystine 2 are described. Alkylation of the carbanion derived from Schollkopf reagent 3 and ensuing hydrolyses gave S-triphenylmethyl-L-homocysteine 6, Removal of the triphenylmethyl group gave L-homocysteine 1 and subsequent oxidation provided L-homocystine 2. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00453-x

文献信息

• [EN] S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES<br/>[FR] COMPOSÉS DE S-NITROSOMERCAPTO ET DÉRIVÉS APPARENTÉS
  申请人：GALLEON PHARMACEUTICALS INC

  公开号：WO2009151744A1

  公开（公告）日：2009-12-17

  The present invention is directed to mercapto-based and S- nitrosomercapto-based SNO compounds and their derivatives, and their use in treating a lack of normal breathing control, including the treatment of apnea and hypoventilation associated with sleep, obesity, certain medicines and other medical conditions.

  本发明涉及基于巯基和S-亚硝基巯基的SNO化合物及其衍生物，以及它们在治疗正常呼吸控制缺失方面的用途，包括治疗与睡眠、肥胖、某些药物和其他医疗状况相关的呼吸暂停和低通气。
• .alpha.-Halomethyl derivatives of .alpha.-amino acids
  申请人：Merrell Toraude et Compagnie

  公开号：US04438270A1

  公开（公告）日：1984-03-20

  Novel halomethyl derivatives of .alpha.-amino acids of the following general structure: wherein Y is ClCH.sub.2, F.sub.2 CH--, F.sub.3 C--, ClCH.sub.2 --, Cl.sub.2 CH--; Z is .beta.-methylthioethyl, .beta.-thioethyl, .beta.-benzylthioethyl; S-(5'-desoxyadenosin-5'-yl)-S-methylthioethyl, .gamma.-guanidinopropyl, R.sub.a HN(CH.sub.2).sub.n -- wherein n is the integer 3 or 4 or ##STR1## wherein Y.sub.2 is F.sub.2 CH--, or F.sub.3 C--; each of R.sub.a and R.sub.b can be the same or different and is hydrogen, alkylcarbonyl wherein the alkyl moiety has from 1 to 4 carbon atoms and is straight or branched, alkoxycarbonyl wherein the alkoxy moiety has from 1 to 4 carbon atoms and is straight or branched, or ##STR2## wherein R.sub.2 is hydrogen, a straight or branched lower alkyl group of from 1 to 4 carbon atoms, benzyl or .rho.-hydroxybenzyl; R.sub.1 is hydroxy, a straight or branched alkoxy group of from 1 to 8 carbon atoms, --NR.sub.4 R.sub.5 wherein each of R.sub.4 and R.sub.5 is hydrogen or a lower alkyl group of from 1 to 4 carbon atoms, or ##STR3## wherein R.sub.3 is hydrogen, a straight or branched lower alkyl group of from 1 to 4 carbon atoms, benzyl or .rho.-hydroxybenzyl; and the lactams thereof when Z is R.sub.a HN(CH.sub.2).sub.n -- and each of R.sub.a and R.sub.b is hydrogen; with the provisos that when Z is .gamma.-guanidinopropyl or .beta.-methylthioethyl, Y is FCH.sub.2 --, F.sub.2 CH-- or F.sub.3 C--; when Z is .gamma.-guanidinopropyl, R.sub.1 is hydroxy; and when Z is .beta.-thioethyl, .beta.-benzylthioethyl, S-(5'-desoxyadenosin-5'-yl)-S-methylthioethyl ##STR4## Y and Y.sub.2 are FCH.sub.2 --, F.sub.2 CH--, or F.sub.3 C-- and are the same, each of R.sub.a and R.sub.b is hydrogen and R.sub.1 is hydroxy; and pharmaceutically acceptable salts and individual optical isomers thereof.

  以下是具有以下一般结构的.alpha.-氨基酸的新型卤甲基衍生物：其中Y是ClCH.sub.2，F.sub.2 CH--，F.sub.3 C--，ClCH.sub.2 --，Cl.sub.2 CH--; Z是.beta.-甲基硫乙基，.beta.-硫乙基，.beta.-苄基硫乙基; S-(5'-去氧腺苷-5'-基)-S-甲基硫乙基，.gamma.-鸟氨酸基丙基，R.sub.a HN(CH.sub.2).sub.n --其中n是整数3或4或##STR1##其中Y.sub.2是F.sub.2 CH--或F.sub.3 C--;R.sub.a和R.sub.b中的每一个可以相同也可以不同，并且是氢，烷基羰基，其中烷基部分具有1到4个碳原子并且是直链或支链，烷氧基羰基，其中烷氧基部分具有1到4个碳原子并且是直链或支链，或##STR2##其中R.sub.2是氢，1到4个碳原子的直链或支链低烷基，苄基或.rho.-羟基苄基; R.sub.1是羟基，1到8个碳原子的直链或支链烷氧基，--NR.sub.4 R.sub.5其中R.sub.4和R.sub.5中的每一个是氢或1到4个碳原子的低烷基，或##STR3##其中R.sub.3是氢，1到4个碳原子的直链或支链低烷基，苄基或.rho.-羟基苄基;以及当Z为R.sub.a HN(CH.sub.2).sub.n --且R.sub.a和R.sub.b中的每一个都是氢时的内酰胺;条件是当Z为.gamma.-鸟氨酸基丙基或.beta.-甲基硫乙基时，Y为FCH.sub.2 --，F.sub.2 CH--或F.sub.3 C--;当Z为.gamma.-鸟氨酸基丙基时，R.sub.1为羟基;当Z为.beta.-硫乙基，.beta.-苄基硫乙基，S-(5'-去氧腺苷-5'-基)-S-甲基硫乙基##STR4##时，Y和Y.sub.2均为FCH.sub.2 --，F.sub.2 CH--或F.sub.3 C--并且相同，R.sub.a和R.sub.b中的每一个均为氢且R.sub.1为羟基;以及其药学上可接受的盐和个别光学异构体。
• Inhibitors of integrin alphavbeta6
  申请人：——

  公开号：US20040092454A1

  公开（公告）日：2004-05-13

  Novel biphenyl derivatives of the general formula (I) in which R 1 , R 1′ , R 1″ , R 2 , R 2′ , R 3 and n are as defined in claim 1, their stereoisomers and their physiologically acceptable salts or solvates are novel integrin inhibitors which preferentially inhibit the &agr; v &bgr; 6 integrin receptor. The novel compounds can be used, in particular, as medicaments. 1

  通式 (I) 的新型联苯衍生物，其中 R 1 , R 1′ , R 1″ , R 2 , R 2′ , R 3 和 n 如权利要求 1 所定义，它们的立体异构体和它们的生理上可接受的盐或溶 剂是新型整合素抑制剂，优先抑制 &agr； v &bgr； 6 整合素受体。这些新型化合物尤其可用作药物。 1
• Somatostatin Receptor-Binding Peptides Labeled with Technetium-99m:  Chemistry and Initial Biological Studies
  作者：Daniel A. Pearson、John Lister-James、William J. McBride、David M. Wilson、Lawrence J. Martel、Edgar R. Civitello、John E. Taylor、Brian R. Moyer、Richard T. Dean

  DOI：10.1021/jm950111m

  日期：1996.1.1

  The synthesis of peptides which possess a high affinity for the somatostatin receptor and contain a chelator for the radionuclide technetium-99m is described. The target compounds were designed such that they would form stable, oxotechnetium(V) chelate complexes in which the site of metal coordination was well defined and remote from the receptor-binding region. Oxorhenium(V) chelate complexes of these peptides were prepared as nonradioactive surrogates for the technetium complexes. Peptide oxorhenium complexes and Tc-99m complexes eluted closely upon HPLC analysis. The receptor-binding affinities of both the free and rhenium-coordinated species were measured in vitro. The binding affinities of the free peptides (K-i's in the 0.25-10 nM range) compared favorably with [DTPA]octreotide (K-i = 1.6 nM), which, as the indium-lll complex, is already approved for somatostatin receptor (SSTR)-expressing tumor imaging in the United States and Europe. Furthermore, the rhenium-coordinated peptides had binding affinities which, in many cases, were higher than those of the corresponding free peptides, with several complexes having a K-i's of 0.1 nM. Some of the more potent SSTR-binding peptides were labeled with technetium-99m and assessed in an in vivo study with tumor-bearing rats. The Tc-99m-labeled peptides prepared in this study should be useful as SSTR-expressing tumor-imaging agents due to their high SSTR-binding affinities, ease of preparation, and, because they are low molecular weight peptides, expected pharmacokinetics characterized by rapid tracer excretion from the body resulting in high-contrast images.
• EP0759786B1
  申请人：——

  公开号：EP0759786B1

  公开（公告）日：2006-09-27