(5E)-5-(4-异丙基亚苄基)-2-疏基-1,3-噻唑-4(5H)-酮 | 100393-19-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: (5E)-5-(4-异丙基亚苄基)-2-疏基-1,3-噻唑-4(5H)-酮
• 中文别名: (5E)-5-[(4-丙-2-基苯基)亚甲基]-2-硫基亚甲基-1,3-四氢噻唑-4-酮；(5E)-5-[(4-异丙苯基)亚甲基]-2-硫代-4-四氢噻唑酮；(5E)-5-[(4-异丙苯基)亚甲基]-2-硫代-四氢噻唑-4-酮；(5E)-5-(4-异丙亚苄基)-2-硫代-四氢噻唑-4-酮
• 英文名称: 5-(4-isopropyl-benzylidene)-2-thioxo-thiazolidin-4-one
• 英文别名: 5-(4-Isopropyl-benzyliden)-2-thioxo-thiazolidin-4-on；(5Z)-5-[4-(propan-2-yl)benzylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one；(5Z)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• CAS: 100393-19-9
• 化学式: C₁₃H₁₃NOS₂
• mdl: MFCD04969047
• 分子量: 263.384
• InChiKey: ZLKBBUUMEJPMIP-XFFZJAGNSA-N

物化性质

• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  86.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934100090

反应信息

• 作为产物：
  描述：

  罗丹宁 、 4-异丙基苯甲醛 在 盐酸 、 乙醇 作用下， 生成 (5E)-5-(4-异丙基亚苄基)-2-疏基-1,3-噻唑-4(5H)-酮
  参考文献：
  名称：

  Bargellini, Gazzetta Chimica Italiana, 1906, vol. 36 II, p. 134

  摘要：

  DOI：

文献信息

• Low molecular weight Myc-Max inhibitors
  申请人：Metallo J. Steven

  公开号：US20070203188A1

  公开（公告）日：2007-08-30

  Compounds and compositions for interfering with the association of Myc and Max are described herein. These compounds and compositions are useful in methods inhibiting growth or proliferation of a cell. Methods of inhibiting growth or proliferation of a cell are provided, comprising contacting the cell with an amount of a compound that interferes with Myc and Max association effective to inhibit growth or proliferation of the cell.

  本文描述了干扰Myc和Max结合的化合物和组合物。这些化合物和组合物在抑制细胞生长或增殖的方法中很有用。本文提供了抑制细胞生长或增殖的方法，包括接触细胞与干扰Myc和Max结合的化合物的有效量，以抑制细胞生长或增殖。
• Ponomarew; Ditschkowa, Uchenye Zapiski Saratovskogo Gosudarstvennogo Universiteta, 1955, vol. 42, p. 45,48
  作者：Ponomarew、Ditschkowa

  DOI：——

  日期：——
• Kul'berg et al., Zhurnal Analiticheskoi Khimii, 1954, vol. 9, p. 85,88; engl. Ausg. S. 97, 99, 100
  作者：Kul'berg et al.

  DOI：——

  日期：——
• Gendelman, Monatshefte fur Chemie, 1922, vol. 43, p. 541
  作者：Gendelman

  DOI：——

  日期：——
• [EN] RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS<br/>[FR] DERIVES DE RHODANINE UTILES POUR LE TRAITEMENT ET LA PREVENTION DE TROUBLES METABOLIQUES DES OS
  申请人：ROCHE DIAGNOSTICS GMBH

  公开号：WO2000018748A1

  公开（公告）日：2000-04-06

  The object of the present invention are compounds of general formula (I), in which m signifies a number between 0 and 8; q signifies a number between 0 and 8; X signifies the group CH2 or C=S, whereby A signifies a single bond and m signifies 0 when X signifies CH2; A signifies a single or double bond; R1, R2 signify hydrogen or lower alkyl, whereby R1 and R2 can be the same or different and, when m signifies 2-8, R1 and R2 in the group CR1=CR2 can have various significances within the following sequence; R3 signifies hydrogen or lower alkyl; Z signifies oxygen, sulphur; W signifies an optionally mono- or polysubstituted saturated or unsaturated mono-, bi- or tricycle which can contain one or more hetero atoms, as well as their physiologically compatible salts, esters, optically active forms, racemates, tautomers, as well as derivatives which can be metabolized in vivo to compounds of general formula (I), as well as the use of these compounds for the production of medicaments for the prophylaxis or therapy of metabolic bone disorders.