isopropylsulfanyl-acetic acid methyl ester | 190062-93-2

• 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: isopropylsulfanyl-acetic acid methyl ester
• 英文别名: Methyl 2-Propan-2-ylsulfanylacetate
• CAS: 190062-93-2
• 化学式: C₆H₁₂O₂S
• mdl: MFCD12761636
• 分子量: 148.226
• InChiKey: XBJRMLWNDRACPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  isopropylsulfanyl-acetic acid methyl ester 在 磺酰氯 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到methyl 2,2-dichloro-2-(isopropylthio)acetate
  参考文献：
  名称：

  Monofluorination of α-dichlorosulfides: A short access to α-fluoro polyfunctionalised thioethers

  摘要：

  alpha-Chlorinated-alpha-fluorinated thioethers were synthesized in good yields by nucleophilic fluorination of their corresponding dichlorinated thioethers. A complete conversion of dihalosulfides 2 into alpha-fluoro-alpha-chlorosulfides 3 was achieved with Et3N.3HF in refluxing acetonitrile. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00778-3
• 作为产物：
  描述：

  2-碘代丙烷 、 巯基乙酸甲酯 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 isopropylsulfanyl-acetic acid methyl ester
  参考文献：
  名称：

  Thienopyridine compounds which have useful pharmaceutical activity

  摘要：

  这些噻吡嘧啶衍生物和具有促性腺激素释放激素拮抗活性的组合物可用作预防或治疗多种激素依赖性疾病的药物，例如激素依赖性癌症（如前列腺癌、子宫颈癌、乳腺癌、垂体腺瘤）、良性前列腺增生、子宫肌瘤、子宫内膜异位症、性早熟、闭经、经前综合征、多囊卵巢综合征和痤疮；在两性中作为控制生育的药物有效（如避孕药和调节月经周期的药物）；可用作男性或女性避孕药、促排卵剂；可通过停止给药而利用反弹效应用作治疗不孕症的药物；在畜牧业领域，可用于调节动物发情周期，作为改善食用肉质量或促进动物生长的药物；作为促进鱼类产卵的药物。

  公开号：

  US05744479A1

文献信息

• THERAPEUTIC COMPOUNDS
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US20170298040A1

  公开（公告）日：2017-10-19

  The present disclosure relates to substituted heterocyclic derivative therapeutic compounds, compositions comprising said compounds, and the use of said compounds and compositions for epigenetic regulation by inhibition of bromodomain-mediated recognition of acetyl lysine regions of proteins, such as histones. Said compositions and methods are useful for the treatment of diseases mediated by aberrant cell signalling, such as inflammatory disorders, cancer and neoplastic disease.

  本公开涉及替代杂环衍生治疗化合物，包括所述化合物的组合物，以及通过抑制溴结构域介导的乙酰赖氨酸区域对蛋白质（如组蛋白）的识别来进行表观遗传调控的所述化合物和组合物的用途。所述组合物和方法对于治疗由异常细胞信号传导介导的疾病，如炎症性疾病、癌症和肿瘤性疾病，是有用的。
• 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS
  申请人：Aicher Thomas Daniel

  公开号：US20100105659A1

  公开（公告）日：2010-04-29

  Provided are compounds that are useful in the treatment and/or prevention of diseases mediated by deficient levels of glucokinase activity, such as diabetes mellitus. Also provided are methods of treating or preventing diseases and disorders characterized by underactivity of glucokinase or which can be treated by activating glucokinase.

  提供了一些化合物，这些化合物在治疗和/或预防由葡萄糖激酶活性不足引起的疾病中非常有用，例如糖尿病。同时提供了治疗或预防由葡萄糖激酶活性不足或可以通过激活葡萄糖激酶治疗的疾病和疾病的方法。
• SMALL MOLECULE INHIBITORS OF MCL-1 AND THE USES OF THEREOF
  申请人：WAYNE STATE UNIVERSITY

  公开号：US20140235702A1

  公开（公告）日：2014-08-21

  This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecules having sulfonamido-1-hydroxynaphthalene structure which function as inhibitors of Mcl-1 protein, and their use as therapeutics for the treatment of cancer and other diseases.

  这项发明涉及药物化学领域。具体而言，该发明涉及一类新型小分子，具有磺酰胺基-1-羟基萘结构，可作为Mcl-1蛋白酶抑制剂，并可用作治疗癌症和其他疾病的治疗剂。
• Pommelet, Jean-Claude; Nyns, Claire; Lahousse, Francis, Angewandte Chemie, 1981, vol. 93, # 6/7, p. 594 - 595
  作者：Pommelet, Jean-Claude、Nyns, Claire、Lahousse, Francis、Merenyi, Robert、Viehe, Heinz G.

  DOI：——

  日期：——
• Synthesis of α-fluoro-β-hydroxy alkylsulfanyl esters via a nucleophilic fluorination of sulfides
  作者：C. Jouen、S. Lemaître、T. Lequeux、J.C. Pommelet

  DOI：10.1016/s0040-4020(98)00639-5

  日期：1998.9

  By halogen-exchange reaction using NEt3-3HF as fluoride source, methyl 2-fluoro-2-alkylsulfanyl acetate 3a-d could be obtained in good yields. Their ester enolates reacted with aromatic or aliphatic aldehydes, to lead to methyl alpha-alkylsulfanyl-alpha-fluoro-beta-hydroxy esters 4-8. By using benzaldehyde as electrophile, the retro-aldol reaction could be favorised by a temperature effect. The selective formation of the syn or the anti diastereoisomers has been controled. (C) 1998 Elsevier Science Ltd. All rights reserved.