Physicochemical Properties
Molecular Formula | C21H27N3O4S |
Molecular Weight | 417.52 |
Exact Mass | 417.172 |
CAS # | 2375541-45-8 |
PubChem CID | 36765911 |
Appearance | White to off-white solid powder |
Density | 1.3±0.1 g/cm3 |
Index of Refraction | 1.598 |
LogP | 4.33 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Heavy Atom Count | 29 |
Complexity | 587 |
Defined Atom Stereocenter Count | 0 |
SMILES | S1C(NC(C2C=CC(=CC=2)OC(C)C)=O)=NC2=C1CN(C(=O)OC(C)(C)C)CC2 |
InChi Key | PNSFNXURLSDVRV-UHFFFAOYSA-N |
InChi Code | InChI=1S/C21H27N3O4S/c1-13(2)27-15-8-6-14(7-9-15)18(25)23-19-22-16-10-11-24(12-17(16)29-19)20(26)28-21(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,22,23,25) |
Chemical Name | tert-butyl 2-[(4-propan-2-yloxybenzoyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate |
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 | [1]. Laraia L, et al. The cholesterol transfer protein GRAMD1A regulates autophagosome biogenesis. Nat Chem Biol. 2019 Jul;15(7):710-720. |
Solubility Data
Solubility (In Vitro) | DMSO : 83.33 mg/mL (199.58 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.98 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 2: ≥ 2.08 mg/mL (4.98 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 | 2.3951 mL | 11.9755 mL | 23.9509 mL | |
5 mM | 0.4790 mL | 2.3951 mL | 4.7902 mL | |
10 mM | 0.2395 mL | 1.1975 mL | 2.3951 mL |