Physicochemical Properties
| Molecular Formula | C27H34N6O2 |
| Molecular Weight | 474.60 |
| Exact Mass | 474.27 |
| Elemental Analysis | C, 68.33; H, 7.22; N, 17.71; O, 6.74 |
| CAS # | 2446803-65-0 |
| Related CAS # | IL-17 modulator 1 disodium;2446803-91-2;(R)-IL-17 modulator 4;2446804-29-9;IL-17 modulator 1;2446803-85-4;IL-17 modulator 4 sulfate;2446806-90-0 |
| PubChem CID | 153616520 |
| Appearance | Off-white to gray solid powder |
| LogP | 4.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 35 |
| Complexity | 749 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | N1(C(C)C)C(C(N[C@H](C(NC2=CC=C(C3=C(C)NN=C3C)C=C2)=O)C(C2CC2)C2CC2)=O)=CC=N1 |
| InChi Key | CQKVACARDGYEMU-VWLOTQADSA-N |
| InChi Code | InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1 |
| Chemical Name | N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide |
| Synonyms | IL-17 modulator 4; CVN03650; CVN 03650; CVN 03650; |
| 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 | Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases. PMID: 35767390 DOI: 10.1021/acs.jmedchem.2c00422 |
Solubility Data
| Solubility (In Vitro) | DMSO : ~300 mg/mL (~632.11 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 7.5 mg/mL (15.80 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 75.0 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 | 2.1070 mL | 10.5352 mL | 21.0704 mL | |
| 5 mM | 0.4214 mL | 2.1070 mL | 4.2141 mL | |
| 10 mM | 0.2107 mL | 1.0535 mL | 2.1070 mL |