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| Other Sizes |
| Targets |
6-Chloro-7-deazapurine-β-D-riboside shows antifungal activity. As a nucleoside analog, it may interfere with nucleic acid synthesis and enzyme function.
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|---|---|
| ln Vitro |
In vitro, 6-Chloro-7-deazapurine-β-D-riboside exerts antifungal effects, showing activity against plant pathogenic fungi. The compound plays a role in nucleic acid synthesis and enzyme inhibition studies and is commonly used in research related to antiviral and anticancer therapies due to its ability to interfere with cellular metabolism and DNA/RNA functions.
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| ln Vivo |
In vivo activity data for 6-Chloro-7-deazapurine-β-D-riboside are limited. Based on its antifungal and potential antiviral/anticancer activities, it may have potential for in vivo studies, but specific data have not been extensively reported.
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| Enzyme Assay |
For non-cellular in vitro assays, 6-Chloro-7-deazapurine-β-D-riboside is evaluated for its antifungal activity against plant pathogenic fungi using standard methods such as agar diffusion or broth microdilution to determine minimum inhibitory concentrations (MICs).
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| Cell Assay |
For in vitro cellular assays, 6-Chloro-7-deazapurine-β-D-riboside is tested in fungal cultures to assess its antifungal efficacy. The compound may also be tested in mammalian cell lines to evaluate its effects on nucleic acid synthesis and potential cytotoxicity for anticancer research.
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| Animal Protocol |
In vivo animal studies for 6-Chloro-7-deazapurine-β-D-riboside have not been extensively documented. Based on its nucleoside analog properties, potential studies could involve administration to animal models of fungal infection or cancer to assess efficacy and safety.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 6-Chloro-7-deazapurine-β-D-riboside are limited. As a nucleoside analog, it may be subject to phosphorylation and incorporation into nucleic acids, which could affect its distribution and metabolism. Further studies are needed to determine its ADME profile.
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| Toxicity/Toxicokinetics |
Toxicological data for 6-Chloro-7-deazapurine-β-D-riboside are limited. As a nucleoside analog, it may have cytotoxic effects, particularly on rapidly dividing cells. Comprehensive safety evaluations would be required for therapeutic development. The compound has a molecular weight of 285.684 and a molecular formula of C₁₁H₁₂ClN₃O₄.
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| References | |
| Additional Infomation |
6-Chloro-7-deazapurine-β-D-riboside is a nucleoside analog that exerts antifungal effects, particularly against plant pathogenic fungi. It is used in research related to nucleic acid synthesis, enzyme inhibition, antiviral therapies, and anticancer therapies due to its ability to interfere with cellular metabolism and DNA/RNA functions.
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| Molecular Formula |
C11H12CLN3O4
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|---|---|
| Molecular Weight |
285.68
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| Exact Mass |
285.052
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| CAS # |
16754-80-6
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| PubChem CID |
512127
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| Appearance |
White to off-white solid powder
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| Density |
1.87g/cm3
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| Boiling Point |
591.4ºC at 760mmHg
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| Melting Point |
160-162ºC
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| Flash Point |
311.5ºC
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| Vapour Pressure |
7.8E-15mmHg at 25°C
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| Index of Refraction |
1.786
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| LogP |
0
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
337
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C1=CN(C2=C1C(=NC=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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| InChi Key |
BFDDOTZWMOKUCD-KCGFPETGSA-N
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| InChi Code |
InChI=1S/C11H12ClN3O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2/t6-,7-,8-,11-/m1/s1
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| Chemical Name |
(2R,3R,4S,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. (2). This product is not stable in solution, please use freshly prepared working solution for optimal results. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (350.04 mM)
H2O: 4.35 mg/mL (15.23 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.75 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.75 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (8.75 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 2 mg/mL (7.00 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.5004 mL | 17.5021 mL | 35.0042 mL | |
| 5 mM | 0.7001 mL | 3.5004 mL | 7.0008 mL | |
| 10 mM | 0.3500 mL | 1.7502 mL | 3.5004 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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