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2-Fluoroadenine

Alias: 2-Fluoroadenine NSC-27364 NSC27364NSC 27364
Cat No.:V9375 Purity: ≥98%
2-Fluoraudenine is a toxic purine base.
2-Fluoroadenine
2-Fluoroadenine Chemical Structure CAS No.: 700-49-2
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
250mg
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Product Description
2-Fluoraudenine is a toxic purine base. 2-Fluoraudenine is toxic to both non-proliferating and proliferating tumor cells. 2-Fluoraudenine may be used in anticancer research.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
2-Fluoroadenine (2 μM; 4 hours) targets one or more enzymes involved in the creation of RNA or proteins, which slows the development of CEM cells [1]. 2- Non-proliferating MRC-5 cells demonstrate cytotoxicity in response to fluorroadenine (0-1000 μM; 96 hours) [1]. 2- Protein, RNA, and DNA synthesis is inhibited in Balb-3T3 cells cultured in serum-free media by fluoroadenine (0.22, 2.2, and 22 μM; 30 hours) [1].
Cell Assay
Cell Proliferation Assay
Cell Types: CEM cells [1]
Tested Concentrations: 2 μM
Incubation Duration: 4 hrs (hours)
Experimental Results: Inhibition of CEM cell growth by targeting one or more enzymes involved in RNA or protein synthesis.

cell cytotoxicity assay
Cell Types: MRC-5 cells [1]
Tested Concentrations: 0-1000 μM
Incubation Duration: 4 hrs (hours)
Experimental Results: Cytotoxicity was demonstrated in non-proliferating MRC-5 cells.
References

[1]. Metabolism and metabolic actions of 6-methylpurine and 2-fluoroadenine in human cells. Biochem Pharmacol. 1998;55(10):1673-1681.

Additional Infomation
2-fluoroadenine is an organofluorine compound that is adenine in which the hydrogen at position 2 (the carbon between the two nitrogens of the pyrimidine ring) is replaced by a fluorine. It has a role as an antineoplastic agent. It is an organofluorine compound and a member of purines.
2-Fluoroadenine is a fluorinated heterocyclic 2-ring compound. 2-fluoroadenine is the base moiety for many carbocyclic and acyclic nucleoside analogues, which may be used in antineoplastic studies.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C5H4FN5
Molecular Weight
163.12
Exact Mass
153.045
CAS #
700-49-2
PubChem CID
12790
Appearance
White to off-white solid powder
Density
1.7±0.1 g/cm3
Boiling Point
676.9±58.0 °C at 760 mmHg
Melting Point
>350 °C(lit.)
Flash Point
363.2±32.3 °C
Vapour Pressure
0.0±2.1 mmHg at 25°C
Index of Refraction
1.783
LogP
-0.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Heavy Atom Count
11
Complexity
154
Defined Atom Stereocenter Count
0
InChi Key
WKMPTBDYDNUJLF-UHFFFAOYSA-N
InChi Code
InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
Chemical Name
1H-Purin-6-amine, 2-fluoro-
Synonyms
2-Fluoroadenine NSC-27364 NSC27364NSC 27364
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~20.83 mg/mL (~136.04 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (13.58 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 20.8 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: ≥ 2.08 mg/mL (13.58 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.1305 mL 30.6523 mL 61.3046 mL
5 mM 1.2261 mL 6.1305 mL 12.2609 mL
10 mM 0.6130 mL 3.0652 mL 6.1305 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

Clinical Trial Information
NCT Number Recruitment interventions Conditions Sponsor/Collaborators Start Date Phases
NCT00625430 UNKNOWN STATUS Biological: Gene Directed Enzyme Prodrug
Therapy, FP253/Fludarabine
Prostate Cancer Biotech Equity Partners Pty Ltd 2008-03 Phase 1
NCT01310179 COMPLETEDWITH RESULTS Genetic: Ad/PNP and fludarabine monophosphate Head and Neck Cancer PNP Therapeutics, Inc. 2011-02 Phase 1
NCT03935347 WITHDRAWN Drug: Cyclophosphamide
Drug: Fludarabine
Drug: Fludarabine Phosphate
Metastatic Bladder Urothelial Carcinoma
Metastatic Renal Pelvis Urothelial Carcinoma
Metastatic Ureter Urothelial Carcinoma
Metastatic Urethral Urothelial Carcinoma
Roswell Park Cancer Institute 2019-06-20 Phase 2
NCT03326921 SUSPENDED Biological: CD8+ and CD4+ Donor Memory T-cells-expressing HA1-Specific TCR
Drug: Fludarabine
Other: Laboratory Biomarker Analysis
Acute Biphenotypic Leukemia
Acute Lymphoblastic Leukemia
Acute Myeloid Leukemia
Acute Undifferentiated Leukemia
Fred Hutchinson Cancer Center 2018-02-23 Phase 1
NCT04007029 RECRUITING Biological: Chimeric Antigen Receptor T-Cell Therapy
Drug: Cyclophosphamide
Drug: Fludarabine Phosphate
Biological: Tocilizumab
CD19 Positive
CD20 Positive
Recurrent Chronic Lymphocytic Leukemia
Recurrent Diffuse Large B-Cell Lymphoma
Jonsson Comprehensive Cancer Center 2019-10-04 Phase 1
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