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preQ-1

Cat No.:V42013 Purity: ≥98%
preQ1 diHCl is a guanine-derived base and a precursor for the biosynthesis of Queuine.
preQ-1
preQ-1 Chemical Structure CAS No.: 86694-45-3
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
10mg
25mg
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Product Description
preQ1 diHCl is a guanine-derived base and a precursor for the biosynthesis of Queuine. preQ1 diHCl binds with high affinity to the preQ1 riboswitch aptamer.
preQ1 dihydrochloride (pre-queuosine1) is a guanine-derived nucleobase and a precursor in the biosynthesis of queuosine, a modified nucleoside found in transfer RNA (tRNA). preQ1 binds with high affinity to the preQ1 riboswitch aptamer, which regulates gene expression. It is primarily employed as a tool to investigate the biosynthesis and role of queuosine in biological systems. Its molecular formula is C7H11Cl2N5O with a molecular weight of 252.1.
Biological Activity I Assay Protocols (From Reference)
Targets
preQ1 targets the preQ1 riboswitch, a regulatory RNA element that controls gene expression in response to the concentration of preQ1. The riboswitch is an aptamer domain on tRNA that binds preQ1 with high affinity and regulates translation. preQ1 is also a substrate for tRNA transglycosylase, the enzyme that incorporates queuosine into tRNA. As a precursor in queuosine biosynthesis, preQ1 plays a role in tRNA modification and translational regulation.
ln Vitro
In vitro, preQ1 binds with high affinity to the preQ1 riboswitch aptamer, attenuating protein expression. It is a modified guanine-derived nucleobase and a precursor of queuosine biosynthesis. The compound is used in biochemical studies to investigate riboswitch function, RNA-ligand interactions, and queuosine biosynthesis pathways. Its high affinity for the riboswitch makes it a valuable tool for studying RNA-based gene regulation mechanisms.
ln Vivo
In vivo, preQ1 is a naturally occurring intermediate in queuosine biosynthesis, a pathway that is present in bacteria and some eukaryotes. Queuosine is a modified nucleoside incorporated into tRNA that plays a role in translational fidelity and stress responses. preQ1 is used in research to study queuosine biosynthesis and its biological functions. However, the compound itself is not used as a therapeutic agent. Its primary applications are in molecular biology and biochemistry research.
Enzyme Assay
For in vitro binding assays, the preQ1 riboswitch aptamer is transcribed in vitro and folded in appropriate buffer. preQ1 dihydrochloride is incubated with the aptamer at various concentrations (0.1-1000 nM). Binding affinity is measured using techniques such as isothermal titration calorimetry (ITC), surface plasmon resonance (SPR), or fluorescence anisotropy. Competitive binding assays can be performed to study riboswitch-ligand interactions.
Cell Assay
For cell-based assays, bacterial or eukaryotic cells are treated with preQ1 dihydrochloride to study its effects on gene expression and queuosine incorporation into tRNA. Cells can be analyzed for queuosine levels in tRNA using LC-MS. Riboswitch-mediated gene regulation can be studied using reporter gene constructs where the riboswitch controls reporter expression. The compound is typically used at concentrations ranging from 0.1-100 µM depending on the assay.
Animal Protocol
For in vivo studies, preQ1 can be administered to bacterial cultures or animal models to study queuosine biosynthesis and its effects on cellular physiology. In bacteria, preQ1 supplementation can affect queuosine incorporation into tRNA and alter translational fidelity. In animals, queuosine deficiency has been associated with various physiological effects, and preQ1 can be used to study these pathways. However, specific in vivo protocols for preQ1 have not been detailed in the available literature.
ADME/Pharmacokinetics
preQ1 dihydrochloride is soluble in DMSO and water at 100 mg/mL. Storage is recommended at -20°C for long-term stability. The compound is for research use only and is not intended for human or veterinary use. Standard laboratory safety precautions should be followed when handling this compound.
Toxicity/Toxicokinetics
Toxicological data for preQ1 dihydrochloride have not been extensively reported, as it is a research reagent rather than a therapeutic agent. Standard laboratory safety precautions should be followed when handling this compound. It is not intended for human use and is available for research purposes only.
Additional Infomation
preQ1 dihydrochloride is a guanine-derived nucleobase and a precursor of queuosine biosynthesis. It binds with high affinity to the preQ1 riboswitch aptamer, which regulates gene expression. preQ1 is used as a tool to investigate queuosine biosynthesis, riboswitch function, and tRNA modification. It is a research reagent and is not approved for clinical use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C7H9N5O
Molecular Weight
179.17926
Exact Mass
215.057
CAS #
86694-45-3
PubChem CID
136229764
Appearance
White to light brown solid powder
LogP
1.375
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Heavy Atom Count
15
Complexity
264
Defined Atom Stereocenter Count
0
SMILES
NC1N=C2N=CC(CN)=C2C(=O)N1
InChi Key
WUMBRQKOLVTYTB-UHFFFAOYSA-N
InChi Code
InChI=1S/C7H9N5O.2ClH/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5;;/h2H,1,8H2,(H4,9,10,11,12,13);2*1H
Chemical Name
2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;dihydrochloride
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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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 : ~125 mg/mL (~495.83 mM)
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 5.5810 mL 27.9049 mL 55.8098 mL
5 mM 1.1162 mL 5.5810 mL 11.1620 mL
10 mM 0.5581 mL 2.7905 mL 5.5810 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
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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:
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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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  • 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.

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