Physicochemical Properties
| Molecular Formula | C23H39CLN2O3 |
| Molecular Weight | 427.020365953445 |
| Exact Mass | 426.264 |
| CAS # | 80943-40-4 |
| Related CAS # | D,L-erythro-PDMP;109760-77-2 |
| PubChem CID | 72163880 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 29 |
| Complexity | 407 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | [C@@H](NC(=O)CCCCCCCCC)(CN1CCOCC1)[C@H](C1C=CC=CC=1)O.Cl |
| InChi Key | HVJHJOYQTSEKPK-QRIJJCFISA-N |
| InChi Code | InChI=1S/C23H38N2O3.ClH/c1-2-3-4-5-6-7-11-14-22(26)24-21(19-25-15-17-28-18-16-25)23(27)20-12-9-8-10-13-20;/h8-10,12-13,21,23,27H,2-7,11,14-19H2,1H3,(H,24,26);1H/t21-,23+;/m1./s1 |
| Chemical Name | N-[(1S,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride |
| 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
| ln Vitro | Either 0, 4, 7, 10 d, or 12, 25, 50 μM of D,L-erythro-PDMP hydrochloride inhibits the proliferation of rabbit skin fibroblasts [1]. The cell morphology of rabbit skin fibroblasts is cytotoxic when exposed to 50 μM of D,L-erythro PDMP hydrochloride for three days [1]. A notable rise in glucosyltransferase specific activity is induced by D,L-erythro-PDMP hydrochloride (40 μM; 24 h; MDCK cells): 14.6 nmol/h per mg of protein [2]. When cells are subjected to cycloheximide, D,L-erythro-PDMP hydrochloride (40 μM; 6 h) shields them from losing synthase [2]. |
| References |
[1]. Uemura K, et al. Effect of an inhibitor of glucosylceramide synthesis on cultured rabbit skin fibroblasts. J Biochem. 1990 Oct;108(4):525-30. [2]. Abe A, et al. Induction of glucosylceramide synthase by synthase inhibitors and ceramide. Biochim Biophys Acta. 1996 Feb 16;1299(3):333-41. |
Solubility Data
| Solubility (In Vitro) | DMSO: 125 mg/mL (292.73 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.87 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: ≥ 2.08 mg/mL (4.87 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 20.8 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: ≥ 2.08 mg/mL (4.87 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 20.8 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 | 2.3418 mL | 11.7091 mL | 23.4181 mL | |
| 5 mM | 0.4684 mL | 2.3418 mL | 4.6836 mL | |
| 10 mM | 0.2342 mL | 1.1709 mL | 2.3418 mL |