*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Physicochemical Properties
| Molecular Formula | C41H46N6O9SI |
| Molecular Weight | 794.924251079559 |
| Exact Mass | 794.309 |
| CAS # | 1236033-04-7 |
| PubChem CID | 134714823 |
| Appearance | Typically exists as solid at room temperature |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 18 |
| Heavy Atom Count | 57 |
| Complexity | 1110 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | [C@H](C(=O)O)(OC(C1C=CC=CC=1)=O)[C@@H](C(=O)O)OC(C1C=CC=CC=1)=O.C(N1C=CC2=C(C3C=NN([C@@H](C4CCCC4)CC#N)C=3)N=CN=C12)OCC[Si](C)(C)C |
| InChi Key | QSAALLKTEBWYGD-FFLVPEHISA-N |
| InChi Code | InChI=1S/C23H32N6OSi.C18H14O8/c1-31(2,3)13-12-30-17-28-11-9-20-22(25-16-26-23(20)28)19-14-27-29(15-19)21(8-10-24)18-6-4-5-7-18;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h9,11,14-16,18,21H,4-8,12-13,17H2,1-3H3;1-10,13-14H,(H,19,20)(H,21,22)/t21-;13-,14-/m10/s1 |
| Chemical Name | (3R)-3-cyclopentyl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile;(2S,3S)-2,3-dibenzoyloxybutanedioic acid |
| 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
Solubility Data
| Solubility (In Vitro) | May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.2580 mL | 6.2899 mL | 12.5799 mL | |
| 5 mM | 0.2516 mL | 1.2580 mL | 2.5160 mL | |
| 10 mM | 0.1258 mL | 0.6290 mL | 1.2580 mL |