Physicochemical Properties
| Molecular Formula | C32H43CL2N5O3 |
| Molecular Weight | 616.6215 |
| Exact Mass | 615.274 |
| CAS # | 1104662-66-9 |
| Related CAS # | SNT-207858;1104080-42-3 |
| PubChem CID | 42630200 |
| Appearance | White to off-white solid powder |
| LogP | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 42 |
| Complexity | 863 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | ClC1C([H])=C(C([H])=C([H])C=1C([H])([H])[C@]([H])(C(N1C([H])([H])C([H])([H])C([H])(C2=C(C([H])=C([H])C([H])=N2)OC([H])([H])[C@@]([H])(C([H])([H])C([H])([H])[H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H])=O)N([H])C(N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=O)Cl |
| InChi Key | GNSVFEJLUPMLCZ-IXCJQBJRSA-N |
| InChi Code | InChI=1S/C32H43Cl2N5O3/c1-2-26(37-14-3-4-15-37)22-42-29-8-7-13-35-30(29)23-11-18-38(19-12-23)31(40)28(36-32(41)39-16-5-6-17-39)20-24-9-10-25(33)21-27(24)34/h7-10,13,21,23,26,28H,2-6,11-12,14-20,22H2,1H3,(H,36,41)/t26-,28-/m1/s1 |
| Chemical Name | N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylbutoxy]pyridin-2-yl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide |
| 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
| ln Vitro | SNT207858 has a 22 nM affinity for the MC-4 receptor and a selectivity that is 170 times greater than that of MC-3 and 40 times greater than that of MC-5 [1]. |
| ln Vivo | Tumor-induced weight loss in mice is considerably lessened by SNT207858 (30 mg/kg; oral; once daily; 15 days) [1]. |
| Animal Protocol |
Animal/Disease Models: C26 adenocarcinoma cachexia model mouse [1] Doses: 30 mg/kg Route of Administration: po (po (oral gavage)) one time/day; 15 days Experimental Results: Dramatically diminished tumor-induced weight loss. |
| References |
[1]. Orally available selective melanocortin-4 receptor antagonists stimulate food intake and reduce cancer-induced cachexia in mice. PLoS One. 2009;4(3):e4774. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~162.17 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.37 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 (3.37 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 | 1.6217 mL | 8.1087 mL | 16.2174 mL | |
| 5 mM | 0.3243 mL | 1.6217 mL | 3.2435 mL | |
| 10 mM | 0.1622 mL | 0.8109 mL | 1.6217 mL |