
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 486460-32-6 |
| Catalog No. | 2A-9057431 |
| Chinese Name | 西他列汀 |
| Synonyms | Janumet; Sitagliptin; Unii-qfp0p1dv7z; trans-2-pentenenitrile ((E)-2-Pentenenitrile) |
| Molecular Formula | C16H15F6N5O |
| Molecular Weight | 407.31 |
| Purity | ≥98 (HPLC) |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 529.9±60.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | Room temperature, dry, sealed |
| Application | Sitagliptin is a potent inhibitor of DPP4 with an IC50 of 19 nM in Caco-2 cells. |
| MDL Number | MFCD09838015 |
| SMILES | FC(F)(F)c1[n]2c(nn1)CN(CC2)C(=O)C[C@H](N)Cc3c(cc(c(c3)F)F)F |
| InChI | 1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 |
| InChI Key | MFFMDFFZMYYVKS-SECBINFHSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| MSDS | msds/57431_1_486460_32_6.pdf |
| Transport Info | Product name: sitagliptin |
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