1-pentyl S-thiocarbamate | 51861-59-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: 1-pentyl S-thiocarbamate
• 英文别名: thiocarbamic acid S-pentyl ester；Thiocarbamidsaeure-S-pentylester；S-pentyl carbamothioate
• CAS: 51861-59-7
• 化学式: C₆H₁₃NOS
• 分子量: 147.241
• InChiKey: WFZXGAJBKZDQDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-pentyl S-thiocarbamate 、 草酰氯 以67%的产率得到
  参考文献：
  名称：

  STREPIXEEV YU. A.; XOXLOV P. S.; CABEHKOB I. F.; KASHEMIROV B. A., ZH. BCEC. XIM. O-BA IM. D. I. MENDELEEVA, 1981, 26, NO 3, 352

  摘要：

  DOI：
• 作为产物：
  描述：

  硫氰酸戊酯 在 硫酸 作用下， 生成 1-pentyl S-thiocarbamate
  参考文献：
  名称：

  Thiocarbamate. Mitt. VII: Einwirkung von konz. Schwefels�ure auf aliphatische und hydroaromatische Rhodanide

  摘要：

  DOI：

  10.1007/bf00899195

文献信息

• [EN] (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS<br/>[FR] CARBOXYLATES PROPANOIQUES 3,4-DISUSBSTITUES UTILISES EN TANT QU'AGONISTES DU RECEPTEUR S1P (EDG)
  申请人：MERCK & CO INC

  公开号：WO2005058848A1

  公开（公告）日：2005-06-30

  The present invention encompasses compounds of Formula A: A as well as the pharmaceutically acceptable salts thereof. The compounds are S1P1/Edg1 receptor agonists and thus have immunosuppressive, anti-inflammatory and hemostatic activities by modulating leukocyte trafficking, sequestering lymphocytes in secondary lymphoid tissues, and enhancing vascular integrity. The invention is also directed to pharmaceutical compositions containing such compounds and methods of treatment or prevention.

  本发明涵盖了化合物A的公式：A以及其药用可接受的盐。这些化合物是S1P1/Edg1受体激动剂，因此通过调节白细胞的运动、在次生淋巴组织中滞留淋巴细胞以及增强血管完整性而具有免疫抑制、抗炎和止血活性。该发明还涉及含有这些化合物的药物组合物以及治疗或预防的方法。
• Oxazole derivatives
  申请人：——

  公开号：US20030055265A1

  公开（公告）日：2003-03-20

  The present invention relates to novel oxazole compounds which act as PPAR&agr; and PPAR&ggr; agonists and are accordingly useful for the treatment of diseases modulated by PPAR&agr; and PPAR&ggr; such as diabetes.

  本发明涉及新型噁唑化合物，其作为PPAR&agr;和PPAR&ggr;激动剂，并因此可用于治疗由PPAR&agr;和PPAR&ggr;调节的疾病，如糖尿病。
• [EN] MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO<br/>[FR] MOLÉCULES PRÉSENTANT UNE UTILITÉ EN TANT QUE PESTICIDES, ET INTERMÉDIAIRES, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2016099929A1

  公开（公告）日：2016-06-23

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, compositions containing such molecules, and processes of using such molecules and compositions against such pests. These molecules and compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula ("Formula One").

  这份披露涉及具有对节肢动物门、软体动物门和线虫门害虫有用的杀虫作用的分子领域，用于生产这种分子的过程，用于这种过程的中间体，含有这种分子的组合物，以及使用这种分子和组合物对抗这些害虫的过程。这些分子和组合物可以用作螨虫剂、杀虫剂、螨虫剂、杀软体动物剂和线虫剂，例如。本文件披露了具有以下式（“式一”）的分子。
• Thiazoles as inhibitors of 11B-hydroxysteroid dehydrogenase
  申请人：Gillespie Paul

  公开号：US20070167622A1

  公开（公告）日：2007-07-19

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, type II diabetes mellitus and metabolic syndrome.

  提供的化合物为公式(I)： 以及其中可接受的药用盐，其中取代基如说明书所述。这些化合物以及包含它们的药物组合物可用于治疗诸如2型糖尿病和代谢综合征等疾病。
• New 2-substituted estra-1,3,5(10)-trien-17-ones as inhibitors of 17beta-hydroxy steroid dehydrogenase type 1
  申请人：Hillisch Alexander

  公开号：US20060009434A1

  公开（公告）日：2006-01-12

  The invention relates to new 2-substituted estra-1,3,5(10)-trien-17-ones of general formula I in which R 2 means a saturated or unsaturated C 1 -C 8 -alkyl group, a C 1 -C 5 -alkyloxy group, an aralkyl radical or alkylaryl radical, a radical —O—C n F m H o , whereby n=1, 2, 3, 4, 5 or 6, m≧1 and m+o=2n+1, or a group CH 2 XY, in which X stands for an oxygen atom and Y stands for an alkyl radical with 1 to 4 carbon atoms, as well as a halogen atom or a nitrile group, R 13 means a hydrogen atom or a methyl group, R 16 means a hydrogen atom or a fluorine atom, Z means an oxygen atom or a sulfur atom, R 3 and R 5 , in each case independently of one another, mean an α- or β-position hydrogen atom, R 4 and R 6 , in each case independently of one another, mean an α- or β-position hydrogen atom, a C 1 -C 5 -alkyl group, a C 1 -C 5 -alkyloxy group, a C 1 -C 5 -acyl group or a hydroxy group or an aralkyl radical or alkylaryl radical, R 3 and R 4 together mean an oxygen atom, R 5 and R 6 together mean an oxygen atom, R 7 and R 8 in each case mean a hydrogen atom or together a CH 2 group, as well as their pharmaceutically acceptable salts, their manufacture and use as medicaments for prophylaxis and therapy of estrogen-dependent diseases that can be influenced by the inhibition of 17β-hydroxy steroid dehydrogenase type 1.

  本发明涉及一般式I的新2-取代的酮类化合物，其中R2代表饱和或不饱和的C1-C8烷基基团，C1-C5烷氧基团，芳基烷基基团或烷基芳基基团，基团—O—CnFmHo，其中n=1、2、3、4、5或6，m≥1且m+o=2n+1，或基团CH2XY，其中X代表氧原子，Y代表具有1至4个碳原子的烷基基团，以及卤原子或腈基团，R13代表氢原子或甲基基团，R16代表氢原子或氟原子，Z代表氧原子或硫原子，R3和R5分别独立地表示α或β位的氢原子，R4和R6分别独立地表示α或β位的氢原子，C1-C5烷基基团，C1-C5烷氧基团，C1-C5酰基团，羟基或芳基烷基基团或烷基芳基基团，R3和R4一起表示氧原子，R5和R6一起表示氧原子，R7和R8分别表示氢原子或一起表示一个CH2基团，以及它们的药学上可接受的盐，它们的制备和用作预防和治疗由于17β-羟基类固醇脱氢酶类型1的抑制而可影响的雌激素依赖性疾病的药物。