C82
目录号 : GC49079
An Mtb CdnP inhibitor
Cas No.:691862-35-8
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
C82 is an inhibitor of M. tuberculosis (Mtb) cyclic dinucleotide phosphodiesterase (CdnP; IC50 = 17.5 µM), the enzyme that catalyzes the hydrolysis of cyclic di-AMP to adenosine 5’-monophosphate .1 It is selective for Mtb CdnP over the additional bacterial CDN phosphodiesterases (PDEs) Yybt, RocR, and group B streptococcus (GBS) CdnP, the mammalian CDN PDE ENPP1, and the viral CDN PDE poxin at 200 µM.
1.Karanja, C.W., Yeboah, K.S., and Sintim, H.O.Identification of a Mycobacterium tuberculosis cyclic dinucleotide phosphodiesterase inhibitorACS Infect. Dis.7(2)309-317(2021)
| Cas No. | 691862-35-8 | SDF | |
| Canonical SMILES | O=C1C2=C(N=CN1CC(NC3=C(OC)C=CC=C3)=O)SC(CC)=C2 | ||
| 分子式 | C17H17N3O3S | 分子量 | 343.4 |
| 溶解度 | DMF: 30 mg/ml,DMSO: 30 mg/ml,DMSO:PBS (pH 7.2) (1:5): 0.16 mg/ml | 储存条件 | -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 2.9121 mL | 14.5603 mL | 29.1206 mL |
| 5 mM | 0.5824 mL | 2.9121 mL | 5.8241 mL |
| 10 mM | 0.2912 mL | 1.456 mL | 2.9121 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Biological characterizations of [Gd@C82(OH)22]n nanoparticles as fullerene derivatives for cancer therapy
Integr Biol (Camb) 2013 Jan;5(1):43-7.PMID:22961501DOI:10.1039/c2ib20145c.
Malignant tumor disease is one of the leading causes of human death in many countries. Currently, chemotherapy is considered highly efficient for cancer treatment. However, the clinical application of conventional chemotherapeutic agents is limited because of their high toxicity. With the development of nanotechnology, engineered nanomaterials have been widely and increasingly used in biomedical fields such as biomedicine. Thus, the use of engineered nanomaterials has become a promising approach to cancer treatment. Many newly fabricated nanomaterials with unique characteristics exhibit favorable therapeutic and diagnostic properties, implying their enormous potential as biomedical candidates. [Gd@C(82)(OH)(22)](n) is a new type of metallofullerenol nanoparticle with high anti-tumor activity but low toxicity. In this article, the properties and biological effects of [Gd@C(82)(OH)(22)](n) are summarized, and their possible mechanisms are analyzed.
Sc2O@C(3v)(8)-C82: A Missing Isomer of Sc2O@C82
Inorg Chem 2016 Feb 15;55(4):1926-33.PMID:26840749DOI:10.1021/acs.inorgchem.5b02901.
By introducing CO2 as the oxygen source during the arcing process, a new isomer of Sc2O@C82, Sc2O@C(3v)(8)-C82, previously investigated only by computational studies, was discovered and characterized by mass spectrometry, UV-vis-NIR absorption spectroscopy, cyclic voltammetry, (45)Sc NMR, density functional theory (DFT) calculations, and single-crystal X-ray diffraction. The crystallographic analysis unambiguously elucidated that the cage symmetry was assigned to C(3v)(8) and suggests that Sc2O cluster is disordered inside the cage. The comparative studies of crystallographic data further reveal that the Sc1-O-Sc2 angle is in the range of 131.0-148.9°, much larger than that of the Sc2S@C(3v)(8)-C82, demonstrating a significant flexibility of dimetallic clusters inside the cages. The electrochemical studies show that the electrochemical gap of Sc2O@C(3v)(8)-C82 is 1.71 eV, the largest among those of the oxide cluster fullerenes (OCFs) reported so far, well correlated with its rich abundance in the reaction mixture of OCF synthesis. Moreover, the comparative electrochemical studies suggest that both the dimetallic clusters and the cage structures have major influences on the electronic structures of the cluster fullerenes. Computational studies show that the cluster can rotate and change the Sc-O-Sc angle easily at rather low temperature.
Popular C82 fullerene cage encapsulating a divalent metal ion Sm(2+): structure and electrochemistry
Inorg Chem 2015 Mar 2;54(5):2103-8.PMID:25679437DOI:10.1021/ic5021884.
Two Sm@C82 isomers have been well characterized for the first time by means of (13)C NMR spectroscopy, and their structures were unambiguously determined as Sm@C2v(9)-C82 and Sm@C3v(7)-C82, respectively. A combined study of single crystal X-ray diffraction and theoretical calculations suggest that in Sm@C2v(9)-C82 the preferred Sm(2+) ion position shall be located in a region slightly off the C2 axis of C2v(9)-C82. Moreover, the electrochemical surveys on these Sm@C82 isomers reveal that their redox activities are mainly determined by the properties of their carbon cages.
Current progress on the chemical functionalization and supramolecular chemistry of M@C82
Nanoscale 2011 Jun;3(6):2421-9.PMID:21483901DOI:10.1039/c0nr00968g.
Since the first discovery of fullerenes in 1985, the insertion of one or more atoms into a hollow fullerene cage has been attempted. Furthermore, synthesis and extraction of metallofullerene, La@C(n), were reported in 1991. Recent successful isolation and purification of metallofullerenes have facilitated the investigation of their chemical properties. This mini-review presents a summary of the recent progress of chemical functionalization and supramolecular chemistry of M@C(82). Selective functionalization and successful structural analysis of derivatives have revealed their chemical features arising from endohedral metal doping.
Partial charge transfer in the shortest possible metallofullerene peapod, La@C82 ⊂[11]cycloparaphenylene
Chemistry 2014 Oct 27;20(44):14403-9.PMID:25224281DOI:10.1002/chem.201403879.
[11]Cycloparaphenylene ([11]CPP) selectively encapsulates La@C82 to form the shortest possible metallofullerene-carbon nanotube (CNT) peapod, La@C82 ⊂[11]CPP, in solution and in the solid state. Complexation in solution was affected by the polarity of the solvent and was 16 times stronger in the polar solvent nitrobenzene than in the nonpolar solvent 1,2-dichlorobenzene. Electrochemical analysis revealed that the redox potentials of La@C82 were negatively shifted upon complexation from free La@C82 . Furthermore, the shifts in the redox potentials increased with polarity of the solvent. These results are consistent with formation of a polar complex, (La@C82 )(δ-) ⊂[11]CPP(δ+) , by partial electron transfer from [11]CPP to La@C82 . This is the first observation of such an electronic interaction between a fullerene pea and CPP pod. Theoretical calculations also supported partial charge transfer (0.07) from [11]CPP to La@C82 . The structure of the complex was unambiguously determined by X-ray crystallographic analysis, which showed the La atom inside the C82 near the periphery of the [11]CPP. The dipole moment of La@C82 was projected toward the CPP pea, nearly perpendicular to the CPP axis. The position of the La atom and the direction of the dipole moment in La@C82 ⊂[11]CPP were significantly different from those observed in La@C82 ⊂CNT, thus indicating a difference in orientation of the fullerene peas between fullerene-CPP and fullerene-CNT peapods. These results highlight the importance of pea-pea interactions in determining the orientation of the metallofullerene in metallofullerene-CNT peapods.