CAS 1210344-57-2|Ertugliflozin
Introduction：Basic information about CAS 1210344-57-2|Ertugliflozin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ertugliflozin | ||
|---|---|---|---|
| CAS Number | 1210344-57-2 | Molecular Weight | 436.883 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 630.5±55.0 °C at 760 mmHg |
| Molecular Formula | C22H25ClO7 | Melting Point | / |
| MSDS | / | Flash Point | 335.1±31.5 °C |
Names
| Name | (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol |
|---|---|
| Synonym | More Synonyms |
Ertugliflozin BiologicalActivity
| Description | Ertugliflozin (PF-04971729) is a potent, selective and orally active inhibitor of the sodium-dependent glucose cotransporter 2 (SGLT2), with an IC50 of 0.877 nM for h-SGLT2[1]. A drug for the treatment of type 2 diabetes mellitus[2]. |
|---|---|
| Related Catalog | Signaling Pathways >>Membrane Transporter/Ion Channel >>SGLTResearch Areas >>Metabolic Disease |
| Target | IC50: 0.877 nM (h-SGLT2)[1]. |
| In Vitro | Ertugliflozin (PF-04971729) demonstrates >2000-fold selectivity for SGLT2 inhibition (relative to SGLT1) in vitro[3]. |
| In Vivo | Ertugliflozin (PF-04971729) reveals a concentration-dependent glucosuria after oral administration to rats[3]. |
| References | [1]. Mascitti V, et al. Discovery of a clinical candidate from the structurally unique dioxa-bicyclo[3.2.1]octane class of sodium-dependent glucose cotransporter 2 inhibitors. J Med Chem. 2011 Apr 28;54(8):2952-60. [2]. Miao Z, et al. Pharmacokinetics, metabolism, and excretion of the antidiabetic agent ertugliflozin (PF-04971729) in healthy male subjects. Drug Metab Dispos. 2013 Feb;41(2):445-56. [3]. Kalgutkar AS, et al. Preclinical species and human disposition of PF-04971729, a selective inhibitor of the sodium-dependent glucose cotransporter 2 and clinical candidate for the treatment of type 2 diabetes mellitus. Drug Metab Dispos. 2011 Sep;39(9):1609-19. |
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 630.5±55.0 °C at 760 mmHg |
| Molecular Formula | C22H25ClO7 |
| Molecular Weight | 436.883 |
| Flash Point | 335.1±31.5 °C |
| Exact Mass | 436.128876 |
| PSA | 108.61000 |
| LogP | 6.49 |
| Vapour Pressure | 0.0±1.9 mmHg at 25°C |
| Index of Refraction | 1.652 |
| InChIKey | MCIACXAZCBVDEE-CUUWFGFTSA-N |
| SMILES | CCOc1ccc(Cc2cc(C34OCC(CO)(O3)C(O)C(O)C4O)ccc2Cl)cc1 |
| Storage condition | -20℃ |
Synonyms
| (1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol |
| Ertugliflozin |
| PF-04971729 |
| Ertugliflozin (USAN/INN) |
| PF-04971729-00 |
| MK-8835 |
| cc-212 |
| (1S,2S,3S,4R,5S)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-hydroxymethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol |
