2-(acetylthiomethyl)succinic acid | 100466-79-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(acetylthiomethyl)succinic acid
• 英文别名: 2-[(acetylsulfanyl)methyl]butanedioic acid；(acetylsulfanyl-methyl)-succinic acid；(Acetylmercapto-methyl)-bernsteinsaeure；acetylthiomethyl-butanedioic acid；2-(acetylsulfanylmethyl)butanedioic acid
• CAS: 100466-79-3
• 化学式: C₇H₁₀O₅S
• mdl: MFCD22369973
• 分子量: 206.219
• InChiKey: XFCUZVSVGRNFOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(acetylthiomethyl)succinic acid 在 劳森试剂 、 sodium hydroxide 、 水 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 41.5h， 生成 tetrahydro-5-thioxo-3-thiophenecarboxylic acid methyl ester
  参考文献：
  名称：

  A new type of plant activator: synthesis of thieno[2,3-d ][1,2,3]thiadiazole-6-carboxylic acid derivatives via Hurd–Mori cyclization

  摘要：

  我们提出了一种以廉价且容易获得的亚甲基丁二酸和硫代乙酸为起始原料的标题化合物的简短而有效的合成方法。优化的序列允许通过几个步骤大规模制备这种新型植物活化剂。邻位锂化用于将取代基引入5-位。建议对 Hurd–Mori 反应的反应机制进行修改来解释意外的芳构化。

  DOI：

  10.1039/a708375k
• 作为产物：
  描述：

  衣康酸 以 异丙醚 、 硫代乙酸 为溶剂， 生成 2-(acetylthiomethyl)succinic acid
  参考文献：
  名称：

  Microbicides

  摘要：

  本发明涉及一种新型杀菌和植物免疫化合物，其化学式为I ##STR1## 其中：X是氢、卤素、C.sub.1-C.sub.4烷基、SR.sub.8、N（R.sub.9）R.sub.10、CH.sub.2OH、CHO或COOR.sub.8；R.sub.8到R.sub.10是氢、C.sub.1-C.sub.4烷基、苯甲基、C.sub.1-C.sub.4酰基或苯甲酰基；Z是氢、卤素或一个未取代或与1到3个未取代或取代的杂原子O、S和/或N结合的甲基基团；以自由形式或盐的形式存在。它们可用于作物保护，控制和预防疾病侵染。

  公开号：

  US05814629A1

文献信息

• Dedicated Asthma Center Improves the Quality of Care and Resource Utilization for Pediatric Asthma: A Multicenter Study
  作者：David S. Battleman、Mark A. Callahan、Steven Silber、Cynthia I. Mun∼oz、Lucia Santiago、Joseph Abularrage、Hadi Jabbar

  DOI：10.1111/j.1553-2712.2001.tb00189.x

  日期：2001.7

  Objectives: To determine the relative effectiveness of pediatric asthma care among patients treated by a dedicated asthma center (AC) vs children who use the emergency department (ED) as a site of primary asthma care. Methods: A retrospective case—control design was used. A random sample of AC cases was selected from a designated comprehensive AC over a 12‐month period. Concurrent ED control patients were identified from all cases of pediatric asthma from five urban hospitals based on two or more ED visits. Cases and controls were matched (1:2) based on age and National Heart, Lung, and Blood Institute (NHLBI) asthma severity of illness classification. A telephone survey was administered to the caregivers of all enrolled patients in the study sample. Results: Four elements of pediatric asthma care were examined: quality, access, hospital utilization, and functional impact of disease. Demographic data were similar between the ED cases and the AC controls. In terms of quality of care, the AC patients were more likely to use maintenance antiinflammatory medications, 60.2% vs 22.5% (OR = 5.3; 95% CI = 2.9 to 9.7) and more likely to be taking medications at school, 71.4% vs 48.1% (OR = 2.7; 95% CI = 1.5 to 4.7). In terms of access to care, the AC families were more likely to have a physician to call to assist with outpatient management, 98.2% vs 65.0% (OR = 25.3; 95% CI = 9.0 to 76.9). Frequent ED utilization (≥ 1 visit/month) was less likely in the AC patients, 9.2% vs 22.0% (OR = 0.35; 95% CI = 0.16 to 0.79) and school absenteeism was lower as well (9.5 ± 6.7 days vs 16.6 ± 10.3, p < 0.001). Additionally, the caregivers of the AC patients missed fewer workdays (4.7 ± 2.8 vs 7.4 ± 4.1; p = 0.03). Conclusions: Significant disparities in quality, access, resource utilization, and functional impact exist between AC and ED patients. Emergency physicians have a unique opportunity to improve the public health by directing ED patients toward pediatric AC treatment.

  **目标:** 确定儿童哮喘治疗在由专门哮喘中心(AC)治疗的患者与将急诊科(ED)作为主要哮喘治疗场所的儿童之间的相对疗效。 **方法:** 使用回顾性病例对照设计。从指定的综合性哮喘中心随机选择AC病例，时间跨度为12个月。对照组ED患者根据两次或以上的ED就诊次数从五所城市医院的所有儿科哮喘病例中确定。病例和对照组根据年龄和美国国立心肺血液研究所(NHLBI)哮喘严重程度分类以1:2的比例进行匹配。向研究样本中所有入组患者的看护者进行了电话调查。 **结果:** 检查了儿童哮喘治疗的四个要素:质量、可及性、住院利用和疾病的功能影响。ED病例和AC对照组的人口统计数据相似。在治疗质量方面，AC患者更有可能使用维持性抗炎药物，60.2% vs 22.5% (OR = 5.3; 95% CI = 2.9 至 9.7)，并且更有可能在学校服药，71.4% vs 48.1% (OR = 2.7; 95% CI = 1.5 至 4.7)。在治疗可及性方面，AC家庭更有可能有一个可以联系的医生来协助门诊管理，98.2% vs 65.0% (OR = 25.3; 95% CI = 9.0 至 76.9)。频繁的ED利用(≥ 1 次/月)在AC患者中不太可能，9.2% vs 22.0% (OR = 0.35; 95% CI = 0.16 至 0.79)，缺课率也较低(9.5 ± 6.7 天 vs 16.6 ± 10.3 天, p < 0.001)。此外，AC患者看护者缺工时间也较少(4.7 ± 2.8 vs 7.4 ± 4.1 天; p = 0.03)。 **结论:** 在质量、可及性、资源利用和疾病影响方面，AC和ED患者之间存在显著差异。急诊医生有独特的机会通过将ED患者引导至儿科哮喘中心治疗来改善公共健康。
• [EN] COMPOSITION COMPRISING BISTHIOLACTONES AND PROCESS FOR TREATING KERATIN MATERIALS USING SAME<br/>[FR] COMPOSITION COMPRENANT DES BISTHIOLACTONES ET PROCÉDÉ DE TRAITEMENT DE MATIÈRES KÉRATINIQUES L'UTILISANT
  申请人：OREAL

  公开号：WO2018115091A1

  公开（公告）日：2018-06-28

  The present invention relates to i) a process for treating keratin materials, in particular human keratin fibres, comprising the application of a composition comprising at least one bisthiolactone of formula (I), in particular for shaping keratin fibres and/or straightening/relaxing, ii) a composition comprising the bisthiolactone(s) of formula (I), iii) novel bisthiolactones of formula (I), iv) a process for preparing the novel bisthiolactones of formula (I), and v) the use of said bisthiolactones in cosmetics. In which formula (I), R1, R2, R3, R4, X, X', Y, Y', A, A', B, a, b, c, and d are as defined in the description.

  本发明涉及i) 一种处理角蛋白材料的方法，特别是人类角蛋白纤维，包括应用包含至少一个式(I)的双硫内酯的组合物，特别是用于造型角蛋白纤维和/或拉直/放松，ii) 包括式(I)的双硫内酯的组合物，iii) 新型的式(I)的双硫内酯，iv) 制备新型式(I)的双硫内酯的方法，以及v) 在化妆品中使用所述双硫内酯。其中，式(I)中，R1、R2、R3、R4、X、X'、Y、Y'、A、A'、B、a、b、c和d如所述的描述。
• Preparation of Carboxythiolactones and Their Active Derivatives
  作者：Bonnie J. Garbiras、Stephen Marburg

  DOI：10.1055/s-1999-3377

  日期：1999.2

  The design of peptidyl immunogens requires that a number of elements be covalently linked to enable the appropriate immune response to occur. Two of these elements are: (a) T-cell sequences which after processing, bind to major histocompatibility complex (MHC) molecules and T-cell receptors and (b) B-cell sequences which embody the constellation of atoms which will ultimately be recognized by the desired antibody. Our concept, designed to effectuate this, involved a single molecule which could conjugate three peptides, potentially in discrete steps, in one pot. Activated carboxythiolactones, hitherto unknown entities, provide such a system: two acyl sites susceptibile to nucleophilic attack at disparate rates and a liberated thiol susceptible to electrophilic alkylation. Such a set of thiolactones and their derivatives have been synthesized from inexpensive starting materials and their reactivities are under investigation. If successful, the system will not only obviate the difficult syntheses of longer linear peptides, but will also allow a rapid structural permutation of the various elements.

  肽基免疫原的设计需要将许多元件共价连接以能够发生适当的免疫反应。其中两个元素是：(a) T 细胞序列，经过加工后，与主要组织相容性复合体 (MHC) 分子和 T 细胞受体结合；(b) B 细胞序列，包含最终将被识别的原子群通过所需的抗体。我们的概念旨在实现这一目标，涉及单个分子，该分子可以在一锅中以不连续的步骤结合三个肽。迄今为止未知的活化的羧基硫内酯提供了这样的系统：两个对不同速率的亲核攻击敏感的酰基位点和一个对亲电烷基化敏感的释放的硫醇。这样一组硫内酯及其衍生物已经由廉价的起始原料合成，并且它们的反应性正在研究中。如果成功，该系统不仅将消除较长线性肽的困难合成，而且还将允许各种元素的快速结构排列。
• Adrenal Insufficiency in Critically Ill Emergency Department Patients: A Taiwan Preliminary Study
  作者：Shy-Shin Chang、Shiumn-Jen Liaw、Michael J. Bullard、Te-Fa Chiu、Jih-Chang Chen、How-Chin Liao

  DOI：10.1111/j.1553-2712.2001.tb00202.x

  日期：2001.7

  Objective: Unrecognized adrenal insufficiency can have serious consequences in critically ill emergency department (ED) patients. This prospective pilot study of adrenal function in patients with severe illness was undertaken to determine the prevalence of adrenal dysfunction and any relation to prior herbal drug use. Methods: In a high‐volume urban tertiary care ED, adult patients with sepsis or acute myocardial infarction (AMI) were eligible for the study. Over a two‐month period, a convenience sample was enrolled by the authors on arrival to the ED. Inclusion criteria were systemic inflammatory response syndrome (SIRS) criteria plus evidence of at least one organ dysfunction or cardiac marker plus electrocardiogram‐proven AMI. Exclusion criteria included known corticosteroid use. Serum cortisol was measured on arrival and for those patients with a level of <15 μg/dL (<414 nmol/L), an adrenocorticotropic hormone (ACTH) stimulation test was performed. Results: Of the 30 enrolled patients, 23 (77%) were suffering from severe sepsis and the other seven (23%) had an AMI. Thirteen of the 30 patients (43%; 95% CI = 25% to 65%) had serum cortisol levels of <15 μg/dL, consistent with adrenal insufficiency, nine with severe sepsis and four with an AMI. Eight (62%; 95% CI = 32% to 86%) of the 13 patients with low cortisol levels reported using herbal medications, while only two (12%; 95% CI = 1% to 36%) of the 17 with normal cortisol levels reported taking herb drugs (p = 0.01). Only two (15%; 95% CI = 2% to 45%) of the patients with low cortisol levels failed their corticotropin stimulation test, suggestive of true adrenocortical insufficiency. Both reported using herbal preparations. Conclusions: These results indicate that adrenal dysfunction is common among a group of critically ill patients seen in this Taiwanese ED. Moreover, the use of herbal drugs was high in the patients with low serum cortisols. Further studies are required to both confirm these findings and clarify whether a number of herbal medications contain corticosteroids.

  目标: 未被识别的肾上腺功能不全在危重急诊室（ED）患者中可能会导致严重后果。本文前瞻性试点研究严重疾病的患者的肾上腺功能，旨在确定肾上腺功能障碍的发病率及其与先前草药药物使用之间的任何关联。方法: 在一家高容量的城市三级护理急诊科，符合研究条件的患者是患有败血症或急性心肌梗死（AMI）的成年患者。在两个月期间，符合条件的患者在抵达急诊科时由研究者们 recruiting。纳入标准是全身性炎症反应综合征（SIRS）标准加上至少一个器官功能障碍或心脏标志物阳性，且心电图证实为AMI。排除标准包括已知的类固醇药物使用。在患者抵达时测量血清皮质醇水平，对于血清皮质醇水平小于15 μg/dL（小于414 nmol/L）的患者，进行了促肾上腺皮质激素（ACTH）刺激试验。结果: 在招募的30名患者中，23名（77%）患有严重败血症，另外7名（23%）患有AMI。30名患者中，13名（43%；95% CI = 25%至65%）的血清皮质醇水平小于15 μg/dL，与肾上腺功能不全一致，其中9名患有严重败血症，4名患有AMI。13名低皮质醇水平患者中，有8名（62%；95% CI = 32%至86%）报告使用过草药药物，而17名正常皮质醇水平患者中，只有2名（12%；95% CI = 1%至36%）报告使用过草药药物（p = 0.01）。在13名低皮质醇患者中，只有2名（15%；95% CI = 2%至45%）的促肾上腺皮质激素刺激试验失败，提示真正的肾上腺皮质功能不全。这2名患者都报告使用过草药制剂。结论: 这些结果显示，在本研究中的台湾急诊室患者中，肾上腺功能障碍在危重病患者中很常见。此外，低血清皮质醇患者的草药药物使用率较高。需要进一步的研究来证实这些发现，并阐明多种草药药物是否含有类固醇。
• Mikrobizide
  申请人：Novartis AG

  公开号：EP0780394A1

  公开（公告）日：1997-06-25

  Die Erfindung betrifft neue mikrobizid und pflanzenimmunisierend wirksame Verbindungen der Formel I, worin bedeuten: X Wasserstoff, Halogen, C1-C4-Alkyl, SR8, N(R9)R10, CH2OH, CHO, COOR8; R8 bis R10 Wasserstoff, C1-C4-Alkyl, Benzyl, C1-C4-Acyl oder Benzoyl; Z Wasserstoff, Halogen oder eine Methyl-Gruppe, die unsubstituiert ist oder an die 1-3 gegebenenfalls substituierte Heteroatome O, S und/oder N gebunden sind; in freier Form oder in Salzform. Sie können im Pflanzenschutz zur Bekämpfung und Verhütung von Krankheitsbefall verwendet werden.

  本发明涉及式 I 的新型杀微生物和植物免疫化合物、 其中 X 是氢、卤素、C1-C4-烷基、SR8、N(R9)R10、CH2OH、CHO、COOR8； R8 至 R10 为氢、C1-C4-烷基、苄基、C1-C4-酰基或苯甲酰基； Z 是氢、卤素或未取代的甲基，或键有 1-3 个任选取代的杂原子 O、S 和/或 N 的甲基； 自由形式或盐形式。 它们可用于植物保护，防治病虫害。