Physicochemical Properties
Molecular Formula | C19H16CLN5O3 |
Molecular Weight | 397.82 |
Exact Mass | 397.09 |
CAS # | 150096-77-8 |
PubChem CID | 24834263 |
Appearance | Off-white to light yellow solid powder |
LogP | 3.9 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Heavy Atom Count | 28 |
Complexity | 544 |
Defined Atom Stereocenter Count | 0 |
SMILES | C(NC(NC1=CC=C(OC2=NC=C(Cl)C=N2)C(C)=C1)=O)(=O)C1=CC=CC=C1N |
InChi Key | NLVSCQFSPVSAOF-UHFFFAOYSA-N |
InChi Code | InChI=1S/C19H16ClN5O3/c1-11-8-13(6-7-16(11)28-19-22-9-12(20)10-23-19)24-18(27)25-17(26)14-4-2-3-5-15(14)21/h2-10H,21H2,1H3,(H2,24,25,26,27) |
Chemical Name | 2-amino-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]benzamide |
Synonyms | Telomerase-IN-3 |
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]. hTERT MODULATORS AND METHODS OF USE. WO2017095969A1. |
Solubility Data
Solubility (In Vitro) | DMSO : ~25 mg/mL (~62.8 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.28 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 25.0 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 | 2.5137 mL | 12.5685 mL | 25.1370 mL | |
5 mM | 0.5027 mL | 2.5137 mL | 5.0274 mL | |
10 mM | 0.2514 mL | 1.2568 mL | 2.5137 mL |