Physicochemical Properties
| Molecular Formula | C4H8N4O4 |
| Molecular Weight | 176.13 |
| Exact Mass | 176.055 |
| CAS # | 99-16-1 |
| PubChem CID | 203 |
| Appearance | White to off-white solid powder |
| Density | 1.618 g/cm3 |
| Boiling Point | 439.2ºC at 760 mmHg |
| Melting Point | 168 °C(Experimental) |
| Flash Point | 219.4ºC |
| Index of Refraction | 1.584 |
| LogP | -2.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 12 |
| Complexity | 199 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | NUCLJNSWZCHRKL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) |
| Chemical Name | 2,2-bis(carbamoylamino)acetic acid |
| 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 |
| 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
| References |
[1]. Metabolomic Analysis of Membranous Glomerulonephritis: Identification of a Diagnostic Panel and Pathogenic Pathways. Arch Med Res. 2019 May; 50(4):159-169. [2]. Stereospecificity of conversion of uric acid into allantoic acid by enzymes of Canadida utilis. J Biochem. 1976 May;79(5):1013-9. [3]. Therapeutic efficacy of atypical antipsychotic drugs by targeting multiple stress-related metabolic pathways. Transl Psychiatry. 2017 May 16; 7(5):e1130. |
| Additional Infomation |
Allantoic acid is a member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively. It has a role as a plant metabolite and a mouse metabolite. It is a conjugate acid of an allantoate. Allantoic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Allantoic acid has been reported in Ilex paraguariensis, Arabidopsis thaliana, and other organisms with data available. Allantoic acid is a metabolite found in or produced by Saccharomyces cerevisiae. |
Solubility Data
| Solubility (In Vitro) | DMSO :~22.73 mg/mL (~129.05 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (11.81 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: ≥ 1.25 mg/mL (7.10 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 12.5 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 | 5.6776 mL | 28.3881 mL | 56.7762 mL | |
| 5 mM | 1.1355 mL | 5.6776 mL | 11.3552 mL | |
| 10 mM | 0.5678 mL | 2.8388 mL | 5.6776 mL |