Physicochemical Properties
| Molecular Formula | C10H12N5NA2O6P |
| Molecular Weight | 375.19 |
| Exact Mass | 375.032 |
| CAS # | 2922-74-9 |
| Related CAS # | 2'-Deoxyadenosine-5'-monophosphate;653-63-4;2′-Deoxyadenosine 5′-monophosphate-13C10,15N5 disodium |
| PubChem CID | 14598610 |
| Appearance | White to off-white solid powder |
| LogP | 0.623 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 24 |
| Complexity | 440 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])[O-])O.[Na+].[Na+] |
| InChi Key | SNYHHRDGEJPLGT-OJSHLMAWSA-L |
| InChi Code | InChI=1S/C10H14N5O6P.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19;;/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1 |
| Chemical Name | disodium;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate |
| 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, 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) |
Biological Activity
| Targets | Human Endogenous Metabolite Microbial Metabolite |
| ln Vitro | In Caco-2 cells, 2′-Deoxyadenosine 5′-monophosphate (dAMP) is absorbed in a time-dependent fashion. A decrease in pH causes an increase in the absorption of 2′-Deoxyadenosine 5′-monophosphate, indicating that the protons may be involved in the transport activity of this compound. The absorption of 2′-Deoxyadenosine 5′-monophosphate by Caco-2 cells is dependent on both pH and Na+ [1]. |
| References |
[1]. Mutual role of ecto-5'-nucleotidase/CD73 and concentrative nucleoside transporter 3 in the intestinal uptake of dAMP. PLoS One. 2019 Oct 21;14(10):e0223892. [2]. Insertion of dGMP and dAMP during in vitro DNA synthesis opposite an oxidized form of 7,8-dihydro-8-oxoguanine. Nucleic Acids Res. 1999 Jan 15;27(2):496-502. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (266.53 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.66 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 (6.66 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.66 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 25.0 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 | 2.6653 mL | 13.3266 mL | 26.6532 mL | |
| 5 mM | 0.5331 mL | 2.6653 mL | 5.3306 mL | |
| 10 mM | 0.2665 mL | 1.3327 mL | 2.6653 mL |