≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Ertugliflozin (MK-8835, PF-04971729) L-pyroglutamic acid is a potent, selective and orally active inhibitor of thesodium-dependent glucose cotransporter 2 (SGLT2)with IC50 of 0.877 nM for h-SGLT2. Ertugliflozin has the potential for the treatment of type 2 diabetes mellitus.
Targets
h-SGLT2 (Cell-free assay) 0.877 nM
| ALogP | 1.349 |
|---|---|
| HBD 수 | 5 |
| 회전 가능한 결합 | 7 |
| Pubchem Sid | 504771552 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771552 |
| 정식 스마일 | CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)Cl.C1CC(=O)NC1C(=O)O |
| IUPAC 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;(2S)-5-oxopyrrolidine-2-carboxylic acid |
| InChIKey | YHIUPZFKHZTLSH-LXYIGGQGSA-N |
| INCHI | 1S/C22H25ClO7.C5H7NO3/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22;7-4-2-1-3(6-4)5(8)9/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t18-,19-,20+,21-,22-;3-/m00/s1 |
| 이성체 SMILES | CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)CO)O)O)O)Cl.C1CC(=O)N[C@@H]1C(=O)O |
| PubChem CID | 57339449 |
| 분자량 | 566 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Proline and derivatives Pyrrolidine carboxylic acids Phenoxy compounds Phenol ethers Oxoprolines Chlorobenzenes Ketals Oxepanes Alkyl aryl ethers Pyrrolidine-2-ones Monosaccharides Aryl chlorides Oxanes 1,3-dioxolanes Secondary carboxylic acid amides Lactams Secondary alcohols Polyols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds Primary alcohols |
| Molecular Framework | Not available |
| Substituents | Proline or derivatives - Diphenylmethane - Alpha-amino acid or derivatives - Phenol ether - Phenoxy compound - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Ketal - Oxepane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 2-pyrrolidone - Pyrrolidone - Oxane - Monosaccharide - Meta-dioxolane - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Secondary alcohol - Polyol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 H2513164 | Certificate of Analysis | Aug 25, 2025 | E413099 |
| F2309843 | Certificate of Analysis | May 10, 2023 | E413099 |
| F2309844 | Certificate of Analysis | May 10, 2023 | E413099 |
| F2310134 | Certificate of Analysis | May 10, 2023 | E413099 |
| F2310141 | Certificate of Analysis | May 10, 2023 | E413099 |
| F2310142 | Certificate of Analysis | May 10, 2023 | E413099 |
| F2310145 | Certificate of Analysis | May 10, 2023 | E413099 |
| 용해성 | Solubility (25°C) In vitro DMSO: 100 mg/mL (176.67 mM); Ethanol: 100 mg/mL (176.67 mM); Water: 10 mg/mL (17.66 mM); |
|---|---|
| DMSO(mg/mL) 최대 용해도 | 100 |
| DMSO(mM) 최대 용해도 | 176.678445229682 |
| 물(mg/mL) 최대 용해도 | 10 |
| 물(mM) 최대 용해도 | 17.6678445229682 |
| 분자량 | 566.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 565.171 Da |
| Monoisotopic Mass | 565.171 Da |
| Topological Polar Surface Area | 175.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 740.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
