hydroxythioacetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代酸
• 英文名称: hydroxythioacetic acid
• 英文别名: thioglycolic acid；Thio-glycolic acid；2-hydroxyethanethioic S-acid
• 化学式: C₂H₄O₂S
• 分子量: 92.1186
• InChiKey: JLKXXTALBTXNLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  hydroxythioacetic acid 生成 Azanium;2-hydroxyethanethioate
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Hydroxamic acid derivatives
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：US06713477B1

  公开（公告）日：2004-03-30

  A hydroxamic acid derivative represented by formula (1) or a prodrug thereof, or a pharmaceutically acceptable salt thereof, which has a matrix metalo-proteinase inhibitor.

  由式（1）表示的羟羧酸衍生物或其前药，或其药用可接受的盐，具有基质金属蛋白酶抑制剂。
• [EN] COMPOUNDS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES<br/>[FR] COMPOSÉS À UTILISER DANS LE TRAITEMENT DE MALADIES INFECTIEUSES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016055553A1

  公开（公告）日：2016-04-14

  The present invention relates to compounds of formula (I), wherein R1, R2, R3, R4, R5 and R6 are as described herein, and their prodrugs or pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds.

  本发明涉及式（I）的化合物，其中R1、R2、R3、R4、R5和R6如本文所述，以及它们的前药或药用可接受的盐、对映体或二对映体，以及包括这些化合物的组合物和使用这些化合物的方法。
• Characterization of Molecular Complexes of 1,4-Naphthoquinone Derivatives
  作者：W. Marjit Singh、Jubaraj B. Baruah

  DOI：10.1007/s10870-011-0024-8

  日期：2011.7

  The structures of sulphur atom tethered quinone containing flexible carboxylic acid (3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylsulfanyl)acetic acid (1) and its molecular complex with 4,4′-bipyridine (3) are determined. The compound 1 crystallizes in P-1 (triclinic, a = 7.5378(6) Å, b = 7.6413(7) Å, c = 10.3101(9) Å; α = 89.779 (7)°, β = 81.042 (5)°, γ = 89.101(7)°) and the molecular complex 3 crystallises in P2(1)/n (monoclinic, a = 9.3383(7) Å, b = 3.970(3) Å, c = 42.130(3) Å, β = 91.056(5)°) space groups, respectively. The R 2 2 (8) type hydrogen bonding between dicarboxylic acid groups present in the parent compound 1 is lost on interaction with 4, 4′-bipyridine; in the molecular complex 3 R 2 2 (7) type of O···H–C and O–H···N interactions are present between the pyridine rings and carboxylic acid groups. The molecular complex (4) derived from 3-carboxymethylsulfanyl-1,4-dihydroxynaphthalen-2-yl-sulfanyl) acetic acid (2) with triphenylphosphine oxide in 1:2 ratio, crystallises in C2/c space group have monoclinic, a = 26.0494(13) Å, b = 10.5402(5) Å, c = 17.1023(8) Å, β = 108.719 (5)°). The triphenylphosphine oxide molecules are preferentially held by O–H···O interactions between carboxylic acid and P=O bond. The structures of (3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylsulfanyl) acetic acid , its molecular complex with 4,4′-bipyridine and molecular complex of 3-carboxymethylsulfanyl-1,4-dihydroxy naphthalen-2-yl-sulfanyl)acetic acid with triphenylphosphine oxide are presented

  含柔性羧酸(3-甲基-1,4-二氧代-1,4-二氢萘-2-基硫基)乙酸(1)的硫原子束缚醌的结构及其与4,4'-联吡啶的分子配合物(3 ) 确定。化合物 1 在 P-1 中结晶（三斜晶系，a = 7.5378(6) Å, b = 7.6413(7) Å, c = 10.3101(9) Å; α = 89.779 (7)°, β = 81.042 (5)° , γ = 89.101(7)°) 和分子复合物3 分别以 P2(1)/n（单斜晶系，a = 9.3383(7) Å、b = 3.970(3) Å、c = 42.130(3) Å、β = 91.056(5)°）空间群结晶。母体化合物1中存在的二羧酸基团之间的R 2 2 (8)型氢键在与4, 4'-联吡啶相互作用时消失；在分子复合物 3 R 2 2 (7) 中，吡啶环和羧酸基团之间存在 O·H–C 和 O–H·N 型相互作用。由3-羧甲基硫基-1,4-二羟基萘-2-基-硫基)乙酸(2)与氧化三苯基膦按1:2比例衍生得到的分子络合物(4)，在C2/c空间群中结晶，具有单斜晶系，a = 26.0494(13) Å, b = 10.5402(5) Å, c=17.1023(8)Å，β=108.719(5)°)。三苯基氧化膦分子优先由羧酸和P=O键之间的O-H…O相互作用固定。 (3-甲基-1,4-二氧代-1,4-二氢萘-2-基硫基)乙酸及其与4,4'-联吡啶的分子配合物和3-羧甲基硫基-1,4-二羟基分子配合物的结构提出了萘-2-基-硫基）乙酸与三苯基氧化膦
• Synthesis and pharmacological evaluation of novel N-alkyl/aryl substituted thiazolidinone arecoline analogues as muscarinic receptor 1 agonist in Alzheimer's dementia models
  作者：C.T. Sadashiva、J.N. Narendra Sharath Chandra、C.V. Kavitha、A. Thimmegowda、M.N. Subhash、Kanchugarakoppal S. Rangappa

  DOI：10.1016/j.ejmech.2009.07.026

  日期：2009.12

  Earlier we have reported the effect of arecoline thiazolidinone and morpholino arecoline analogues as muscarinic receptor 1 agonist in Alzheimer's dementia models. To elucidate further our SAR study on the chemistry and muscarinic receptor binding efficacy, a series of novel N-alkyl/aryl substituted thiazolidinone arecoline analogues 6(a–m) were designed and synthesized from 3-pyridine carboxaldehyde

  先前我们已经报道了槟榔碱噻唑烷酮和吗啉代槟榔碱类似物作为毒蕈碱受体1激动剂在阿尔茨海默氏痴呆症模型中的作用。为了进一步阐明我们在化学和毒蕈碱受体结合功效方面的SAR研究，设计了一系列新型的N-烷基/芳基取代的噻唑烷酮槟榔碱类似物6（a - m），并通过3-吡啶羧醛与不同胺类反应，合成了它们。使用雄性Wistar大鼠脑膜匀浆对γ-铁氧体作为催化剂进行体外毒蕈碱受体结合研究，并扩展到雄性Wistar大鼠体内记忆和学习的体内药理学评价。导数6j 具有连接到噻唑烷酮氮上的二苯胺部分对M1受体结合显示出显着的亲和力。
• 3-Alkoxy-thianapthene-2-carboxamides
  申请人：Societe d'Etudes Scientifiques et Industrielles de l'Ile-de-France

  公开号：US03954748A1

  公开（公告）日：1976-05-04

  The 3-alkoxy-thianaphthene-2-carboxamides of this invention are effective for the treatment of mammals afflicted with emesis. When administered to dogs in dosages of 250 .mu.g/kg, compounds of this invention give 100% protection against vomiting normally induced by subcutaneous administration of apomorphine. The compounds of this invention also favorably modify behavior disturbances in mammals.

  本发明的3-烷氧基噻吩-2-羧酰胺对于治疗患有呕吐症的哺乳动物非常有效。当以每公斤250微克的剂量给狗口服时，本发明的化合物可以100％地保护狗免受皮下注射阿泼莫啡引起的呕吐。此外，本发明的化合物还可以有利地改善哺乳动物的行为异常。