Physicochemical Properties
| Molecular Formula | C26H43NO2 |
| Molecular Weight | 401.63 |
| Exact Mass | 401.329 |
| CAS # | 79066-03-8 |
| PubChem CID | 24768125 |
| Appearance | White to off-white solid powder |
| LogP | 5.43 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 29 |
| Complexity | 670 |
| Defined Atom Stereocenter Count | 8 |
| SMILES | C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChi Key | NDGUBXOBXSPVHJ-LXVLQKCJSA-N |
| InChi Code | InChI=1S/C26H43NO2/c1-17(6-11-24(29)27(4)5)21-9-10-22-20-8-7-18-16-19(28)12-14-25(18,2)23(20)13-15-26(21,22)3/h7,17,19-23,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,25+,26-/m1/s1 |
| Chemical Name | (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethylpentanamide |
| 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 | IC50: LXR[1] |
| ln Vitro | DMHCA (10 µM; 16–18 hours) treats diabetes CD34+ cells ex vivo and returns membrane fluidity to pre-diabetic levels[1]. When compared to control mice, DMHCA markedly reduces CCL-2 generation by >50% in the BM supernatants and the systemic circulation while restoring baseline levels of BM-derived TNF-α and IL-3. Additionally, DMHCA upregulates the egression of vascular reparative cells into the peripheral circulation and increases the amount of CACs in the BM and peripheral circulation [1]. According to the PAGA analysis, erythrocyte progenitor robustness and overall production are improved by DMHCA treatment. Flux down the erythrocyte progenitor lineage is improved by DMHCA. Moreover, it DMHCA raises the density of erythrocyte progenitor cells in bone marrow. DMHCA raises the expression of the hemoglobin beta adult chain (HBB-BT) in addition to increasing the fraction of erythrocyte progenitors[1]. |
| ln Vivo | In diabetic retinal patients, DMHCA (oral dosage; 6 months; meal 8 mg/kg body weight /day) restores cholesterol homeostasis. In the diabetic retina, it markedly raises total oxysterol, desmosterol, and endogenous LXR ligands[1]. |
| References |
[1]. Selective LXR agonist DMHCA corrects retinal and bone marrow dysfunction in type 2 diabetes. JCI Insight. 2020 Jul 9;5(13):e137230. |
Solubility Data
| Solubility (In Vitro) | DMSO: 7.69 mg/mL (19.15 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.77 mg/mL (1.92 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 7.7 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 2: ≥ 0.77 mg/mL (1.92 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 7.7 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 | 2.4899 mL | 12.4493 mL | 24.8985 mL | |
| 5 mM | 0.4980 mL | 2.4899 mL | 4.9797 mL | |
| 10 mM | 0.2490 mL | 1.2449 mL | 2.4899 mL |