Physicochemical Properties
| Molecular Formula | C33H38N4O8 |
| Molecular Weight | 618.676828861237 |
| Exact Mass | 618.268 |
| CAS # | 2922280-86-0 |
| PubChem CID | 134694957 |
| Appearance | White to off-white solid powder |
| LogP | 3.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 19 |
| Heavy Atom Count | 45 |
| Complexity | 930 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3 |
| InChi Key | LDCYHYVNYRUUOL-NSOVKSMOSA-N |
| InChi Code | InChI=1S/C33H38N4O8/c38-29(20-19-28(31(40)41)37-33(43)45-23-25-14-6-2-7-15-25)34-21-11-10-18-27(30(39)35-26-16-8-3-9-17-26)36-32(42)44-22-24-12-4-1-5-13-24/h1-9,12-17,27-28H,10-11,18-23H2,(H,34,38)(H,35,39)(H,36,42)(H,37,43)(H,40,41)/t27-,28-/m0/s1 |
| Chemical Name | (2S)-5-[[(5S)-6-anilino-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic 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
| Targets | SIRT5[1] |
| ln Vitro | Inhibiting Sirtuin 5 is MC3482. SIRT5 desuccinylating activity is inhibited by 50 μM MC3482, although SIRT5 intracellular expression levels remain unchanged. In SIRT5-silenced cells and WT cells treated with MC3482, autophagy and mitophagy are upregulated, but they are downregulated in SIRT5-overexpressing cells[1]. |
| References |
[1]. SIRT5 regulation of ammonia-induced autophagy and mitophagy. Autophagy. 2015;11(2):253-70. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 130 mg/mL (210.12 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (3.51 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 21.7 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: ≥ 2.17 mg/mL (3.51 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 21.7 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 | 1.6163 mL | 8.0817 mL | 16.1634 mL | |
| 5 mM | 0.3233 mL | 1.6163 mL | 3.2327 mL | |
| 10 mM | 0.1616 mL | 0.8082 mL | 1.6163 mL |