| Size | Price | Stock | Qty |
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| Targets |
CAIR is a key metabolite and the direct substrate for the enzyme SAICAR synthetase, the seventh step in the purine biosynthesis pathway. Its primary molecular target is this enzyme's active site. It is not a pharmacological target itself but is an essential intermediate. The enzymes that act on CAIR are potential targets for the development of antibiotics and anticancer drugs, as rapidly dividing cells have a high demand for purines.
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| ln Vitro |
CAIR has no direct pharmacological activity, but it is a crucial tool for studying enzyme function in vitro. It is used as a specific substrate to measure the activity of its cognate enzyme, SAICAR synthetase. In a purified system, the conversion of CAIR to its product, SAICAR, can be monitored. This allows for the detailed characterization of the enzyme's kinetics and can be used to screen for inhibitors of this step in purine synthesis.
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| ln Vivo |
In vivo, CAIR is a transient and essential intermediate. The de novo purine synthesis pathway, of which CAIR is a part, is vital for cellular proliferation, as it produces the building blocks for DNA and RNA. Unlabeled CAIR is not a therapeutic agent; its presence is momentary as it is rapidly converted to the next metabolite. The d8-labeled version would be used to trace the metabolic fate of CAIR in living organisms.
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| Enzyme Assay |
For in vitro (non-cellular) assays, CAIR is dissolved in an appropriate buffer, such as Tris-HCl or HEPES, at a specific pH. It is then used as a substrate in an enzymatic reaction with purified SAICAR synthetase, along with the other substrate, L-aspartate, and the energy source, ATP. The reaction is typically monitored by following the disappearance of CAIR or the appearance of the product, SAICAR, using HPLC or LC-MS.
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| Cell Assay |
For in vitro cellular experiments, CAIR is not typically added to cultures as it is an internal cellular metabolite that is not efficiently taken up from the media. To study this pathway, researchers use isotopically labeled precursors like glycine or formate, which are incorporated into the purine ring. The labeled CAIR can then be extracted from the cells and analyzed by mass spectrometry to assess the flux through this specific biosynthetic step.
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| Animal Protocol |
CAIR is not an exogenous compound typically administered in animal experiments. To study this pathway in vivo, labeled precursors are often infused into animals. The concentrations of endogenous intermediates like CAIR in tissues can be measured ex vivo to assess pathway activity. For a targeted tracer, a stable isotope-labeled version of a downstream metabolite could be administered to study reverse flux, but this is highly specialized.
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| ADME/Pharmacokinetics |
As a highly polar, phosphorylated ribose intermediate, CAIR is not a drug and has no defined pharmacokinetic parameters. It is a cell-permeant intermediate that exists transiently inside cells. Any CAIR that might be present in the bloodstream would likely be unstable and rapidly dephosphorylated by ubiquitous phosphatases or broken down, and it would not be absorbed intact from the gut.
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| Toxicity/Toxicokinetics |
CAIR is a natural, low-molecular-weight intracellular metabolite and is considered non-toxic at physiological concentrations. It is not a standard research chemical that is typically handled in large quantities, so formal toxicity data is not available. However, like many metabolic intermediates, it should be considered a potential mild irritant, and standard safety precautions for handling biochemicals should be observed.
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| References | |
| Additional Infomation |
5-Amino-1-(5-phosphate-D-ribosyl)imidazol-4-carboxylic acid is a 1-(phosphate-ribosyl)imidazolium, imidazolium-4-carboxylic acid, and aminoimidazolium. It is a metabolite of both Escherichia coli and mice. It is the conjugate acid of 5-amino-1-(5-phosphono-D-ribosyl)imidazolium-4-carboxylic acid and 5-amino-1-(5-phosphono-D-ribosyl)imidazolium-4-carboxylic acid (2-). 5-Amino-1-(5-phosphate-D-ribosyl)imidazolium-4-carboxylic acid is a metabolite present in or produced by Escherichia coli (K12 strain, MG1655 strain). 5-Amino-1-(5-phosphate-D-ribosyl)imidazolium-4-carboxylic acid is a metabolite present in or produced by Saccharomyces cerevisiae.
CAIR is not a drug but a research-use biochemical. Its primary application is as a tool for studying the biochemistry of purine synthesis. It is used to characterize the function and structure of the enzymes in the purine biosynthesis pathway, specifically SAICAR synthetase (PurC in E. coli) and PurE, which creates the imidazole ring. This research is essential for developing novel antibiotics or anti-cancer agents that target these metabolic pathways. |
| Molecular Formula |
C9H14N3O9P
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|---|---|
| Molecular Weight |
339.20
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| Exact Mass |
339.046
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| CAS # |
6001-14-5
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| PubChem CID |
165388
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| Appearance |
Off-white to light yellow solid powder
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| Density |
2.3±0.1 g/cm3
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| Boiling Point |
865.9±75.0 °C at 760 mmHg
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| Flash Point |
477.5±37.1 °C
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| Vapour Pressure |
0.0±0.3 mmHg at 25°C
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| Index of Refraction |
1.809
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| LogP |
-0.87
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
22
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| Complexity |
473
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O
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| InChi Key |
XFVULMDJZXYMSG-ZIYNGMLESA-N
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| InChi Code |
InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1
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| Chemical Name |
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid
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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). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
H2O: 250 mg/mL (737.03 mM)
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9481 mL | 14.7406 mL | 29.4811 mL | |
| 5 mM | 0.5896 mL | 2.9481 mL | 5.8962 mL | |
| 10 mM | 0.2948 mL | 1.4741 mL | 2.9481 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.
Link: https://clinicaltrials.gov/ct2/show/NCT04373070
Conditions:Copd|Chronic Respiratory DiseaseProducts are for research use only; We do not sell to patients
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