(S)-1-thioacetyl-2-amino-N-(tert-butoxycarbonyl)-3-methylbutane | 122818-30-8

• 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: (S)-1-thioacetyl-2-amino-N-(tert-butoxycarbonyl)-3-methylbutane
• 英文别名: (S) 1-thio-S-acetyl-2-amino-N-(tert-butyloxycarbonyl)-3-methyl-butane；S-[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyl] ethanethioate；thioacetic acid, S-(2S-tert-butoxycarbonylamino-3-methylbutyl) ester；S-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] ethanethioate
• CAS: 122818-30-8
• 化学式: C₁₂H₂₃NO₃S
• 分子量: 261.386
• InChiKey: LWTFMALGASFPOT-SNVBAGLBSA-N

物化性质

• 沸点：
  351.4±25.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-1-thioacetyl-2-amino-N-(tert-butoxycarbonyl)-3-methylbutane 在 乙酸酐 、 氯 、 三氟乙酸 作用下， 以 乙醇 为溶剂， 生成 (ScRs) 1-<<(methylthio)methyl>sulfinyl>-2-amino-3-methyl-butane
  参考文献：
  名称：

  The role of the hydroxymethyl function on the biological activity of the antitumor antibiotic sparsomycin

  摘要：

  DOI：

  10.1016/0223-5234(89)90055-x
• 作为产物：
  描述：

  N-(叔丁氧基羰基)-L-缬氨酸甲酯 在 锂硼氢 作用下， 以 吡啶 、 乙二醇二甲醚 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-1-thioacetyl-2-amino-N-(tert-butoxycarbonyl)-3-methylbutane
  参考文献：
  名称：

  The role of the hydroxymethyl function on the biological activity of the antitumor antibiotic sparsomycin

  摘要：

  DOI：

  10.1016/0223-5234(89)90055-x

文献信息

• [EN] 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS<br/>[FR] DÉRIVÉS DE 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE ET COMPOSÉS CORRESPONDANTS UTILISÉS EN TANQUE QUE AGONISTES DU RÉCEPTEUR D'HYDROCARBURE ARYLE (AHR) UTILISÉS POUR LE TRAITEMENT DE, P.EX., DE L'ANGIOGENÈSE IMPLIQUÉE OU DE TROUBLES INFLAMMATOIRES
  申请人：IKENA ONCOLOGY INC

  公开号：WO2021127302A1

  公开（公告）日：2021-06-24

  2-(1H-lndole-3-carbonyl)-thiazole-4-carboxamide derivatives and the corresponding imidazole, oxazole and thiophene derivatives and related compounds as aryl hydrocarbon receptor (AHR) agonists for the treatment of angiogenesis implicated disorders, such as e.g. retinopathy, psoriasis, rheumatoid arthritis, obesity and cancer, or inflammatory disorders. The present description discloses the synthesis and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. pages 27 to 32 and 59 to 219; examples 1 to 8; compounds 1-1 to 1-97; tables 1-a, 2 and 3).

  2-(1H-吲哚-3-甲酰基)-噻唑-4-羧酰胺衍生物及相应的咪唑、噁唑和噻吩衍生物以及相关化合物作为芳香烃受体（AHR）激动剂，用于治疗涉及血管生成的疾病，例如视网膜病变、银屑病、类风湿性关节炎、肥胖和癌症，或炎症性疾病。本说明书揭示了示例化合物的合成和表征以及其药理数据（例如第27至32页和59至219页；示例1至8；化合物1-1至1-97；表1-a、2和3）。
• Synthesis and evaluation of chloromethyl sulfoxides as a new class of selective irreversible cysteine protease inhibitors
  作者：Arwin J. Brouwer、Anton Bunschoten、Rob M.J. Liskamp

  DOI：10.1016/j.bmc.2007.07.045

  日期：2007.11

  The synthesis and biological evaluation of a new class of selective irreversible cysteine protease inhibitors is described. A set of amino acid based chloromethyl sulfoxides was prepared and they were found to inhibit irreversibly the cysteine protease papain. They were selective for cysteine proteases since no inhibition was found for the serine protease chymotrypsin.

  描述了新型的选择性不可逆半胱氨酸蛋白酶抑制剂的合成和生物学评估。制备了一套基于氨基酸的氯甲基亚砜，发现它们不可逆地抑制半胱氨酸蛋白酶木瓜蛋白酶。由于对丝氨酸蛋白酶胰凝乳蛋白酶没有抑制作用，因此它们对半胱氨酸蛋白酶具有选择性。
• Computer-assisted discovery of novel amino acid derived sulfides for enantioselective epoxidation of aldehydes
  作者：Vesa T Myllymäki、Mika K Lindvall、Ari M.P Koskinen

  DOI：10.1016/s0040-4020(01)00396-9

  日期：2001.5

  With the aid of molecular modeling, thiazolidine derivatives have been designed as catalysts for epoxidation of aldehydes. Accessible from amino acids, the thiazolidine derivatives can be synthesized in both enantiomeric forms and with a diverse array of substituents. A representative member, (S)-N-tert-butoxycarbonyl-2,2-dimethyl-4- isopropyl thiazolidine, of the thiazolidine family has been prepared, and it has been shown to catalyze the formation of trans-stilbene oxide with high enantioselectivity. Experimental and theoretical characterization has allowed the evaluation of the factors affecting enantioselectivity, facilitating the design of second-generation thiazolidines and other chiral sulfides as epoxidation catalysts. (C) 2001 Elsevier Science Ltd. All rights reserved.
• N-HYDROXYFORMAMIDE DERIVATIVES
  申请人：Darwin Discovery Limited

  公开号：EP1051395B1

  公开（公告）日：2006-11-22
• BROEK, LEON A. G. M. VAN DEN;FENNIS, PAUL J.;AREVALO, MARIA A.;LAZARO, ES+, EUR. J. MED. CHEM., 24,(1989) N, C. 503-510
  作者：BROEK, LEON A. G. M. VAN DEN、FENNIS, PAUL J.、AREVALO, MARIA A.、LAZARO, ES+

  DOI：——

  日期：——