2-methylthio-ATP | 43170-89-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: 2-methylthio-ATP
• 英文别名: 2MeSATP；2-methylthioadenosine-5'-triphosphate；2-Mesatp；[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• CAS: 43170-89-4
• 化学式: C₁₁H₁₈N₅O₁₃P₃S
• 分子量: 553.277
• InChiKey: XNOBOKJVOTYSJV-KQYNXXCUSA-N

物化性质

• 沸点：
  1006.3±75.0 °C(Predicted)
• 密度：
  2.49±0.1 g/cm3(Predicted)
• 溶解度：
  在水中的溶解度13 mg/mL溶液应现场配制。

计算性质

• 辛醇/水分配系数(LogP)：
  -4.9
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  304
• 氢给体数：
  7
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  2-methylthio-ATP 、 Guanosine 5'-triphosphate 在 herring testis DNA 、 human cyclic guanosine monophosphate-adenosine monophosphate synthase 、 magnesium chloride 作用下， 以 aq. buffer 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  cGAS 的催化混杂：2'-3'-连接的环状二核苷酸的简便酶促合成。

  摘要：

  酶促捷径：环状二核苷酸对研究免疫学和免疫肿瘤学非常感兴趣，可以通过一步生物转化来合成，显着缩短化学合成路线。该酶显示出惊人的大底物范围。

  DOI：

  10.1002/cbic.202000433

文献信息

• Method for identifying purinergic modulators of the olfactory system
  申请人：The University Of Utah

  公开号：EP2410332A1

  公开（公告）日：2012-01-25

  Disclosed are screening methods for detecting compounds that modulate odor sensitivity via purinergic receptors of the olfactory system.

  所公开的是用于检测通过嗅觉系统的嘌呤能受体调节气味敏感性的化合物的筛选方法。
• Hydrolysis of P2-Purinoceptor agonists by a purified ectonucleotidase from the bovine aorta, the ATP-diphosphohydrolase
  作者：Maryse Picher、Jean Sévigny、Pédro D'Orléans-Juste、Adrien R. Beaudoin

  DOI：10.1016/0006-2952(96)00086-x

  日期：1996.6

  Pharmacologists are becoming more and more aware of the possibility that certain ATP analogues currently used to classify the P-2-purinoceptors are dephosphorylated by ectonucleotidases. In this study, we provide evidence that in the vascular system, these purine analogues are hydrolysed by an ATP-diphosphohydrolase (ATPDase). This enzyme is known as the major plasma membrane nucleotidase of endothelial and smooth muscle cells, and is believed to dephosphorylate extracellular triphospho- and diphosphonucleosides. Assays were conducted with a purified ATPDase from smooth muscle cells of bovine aorta. At a concentration of 250 mu M, adenosine 5'-(alpha,beta-methylene) triphosphonate (alpha,beta-metATP), adenosine 5'-(beta,gamma-methylene) triphosphonate (beta,gamma-metATP), adenosine 5'-(alpha,beta-methylene) diphosphonate (alpha,beta-metADP), adenylyl 5'-(beta,gamma-imido) diphosphonate (beta,gamma-imidoATP) and adenosine 5'-O-(2-thiodiphosphate) (ADP beta S) all resisted dephosphorylation, whereas 2-chloroadenosine triphosphate (2-chloroATP), 2-methylthioadenosine triphosphate (2-MeSATP) and 8-bromoadenosine triphosphate (8-bromoATP) were hydrolysed at 99, 63, and 20% of the rate of ATP hydrolysis, respectively. All the non-hydrolysable analogues tested, except alpha,beta-metADP, competed with ATP and ADP for the ATPDase catalytic site, reducing their hydrolysis by 35-50%. Apparent K-m values for ATP and ADP were estimated at 14.1 and 12.0 mu M, respectively, whereas apparent K-m and K-i values for the purine analogues ranged from 12 to 28 mu M These results strongly support the view that (1) the ATPDase is expected to reduce substantially the P-2-response induced by ATP, ADP, and some hydrolysable agonists; and (2) by competing with the hydrolysis of endogenously released ATP and ADP, non-hydrolysable analogues could alter the amplitude or direction of the cellular response induced by these natural substrates.
• PURINERGIC MODULATION OF SMELL
  申请人：The University of Utah Research Foundation

  公开号：EP1624753B1

  公开（公告）日：2012-01-25
• Purinergic modulation of smell
  申请人：Lucero Mary

  公开号：US20060264398A1

  公开（公告）日：2006-11-23

  Disclosed are compositions and methods for modulating odor sensitivity, as well as screening methods for detecting compounds that modulate odor sensitivity.
• HERIPENES WITH PAIN-RELIEVING EFFECT, ACTIVE SUBSTANCES OF Hericium erinaceus MYCELIUM AND THE PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE HERIPENES OR ACTIVE SUBSTANCES
  申请人：GRAPE KING BIO LTD.

  公开号：US20170312247A1

  公开（公告）日：2017-11-02

  The present invention is related to an active substance of Hericium erinaceus having a pain-relieving effect, and a pharmaceutical composition including the active substance. The active substance is prepared using the following steps: (a) inoculating a mycelium of H. erinaceus on an agar plate and incubating at 15-32° C. for 8-16 days; (b) inoculating the incubated H. erinaceus mycelia from step (a) into a medium in a flask and incubating at 20-30° C. and pH 4.5-6.5 for 3-5 days; (c) inoculating the incubated H. erinaceus mycelia from step (b) into a medium in a fermentation tank and incubating at 24-32° C. and pH 4.5-5.5 for 8-16 days to obtain a fermented medium of the H. erinaceus mycelia; and (d) desiccating the fermented medium of the H. erinaceus mycelia from step (c) to obtain the powder of the H. erinaceus mycelia, which is further purified and isolated to obtain a novel compound of H. erinaceus.