CAS Number654671-77-9
SynonymsJanuvia; Sitagliptin phosphate hydrate (jan); Sitagliptin phosphate hydrate; Sitagliptin phosphate (usan); Sitagliptin Phosphate; Januvia (tn); Sitagliptin monohydrate; Sitagliptin (phosphate monohydrate)
Molecular FormulaC16H20F6N5O6P
Molecular Weight523.32
Purity99%
Boiling Point529.9ºC at 760 mmHg
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 654671-77-9 |
| Catalog No. | 2A-9057813 |
| Chinese Name | 磷酸西他列汀 |
| Synonyms | Januvia; Sitagliptin phosphate hydrate (jan); Sitagliptin phosphate hydrate; Sitagliptin phosphate (usan); Sitagliptin Phosphate; Januvia (tn); Sitagliptin monohydrate; Sitagliptin (phosphate monohydrate) |
| Molecular Formula | C16H20F6N5O6P |
| Molecular Weight | 523.32 |
| Purity | 99 |
| Boiling Point | 529.9ºC at 760 mmHg |
| Appearance | powder |
| Storage Condition | room temperature |
| Application | Sitagliptin (MK 0431) is a highly effective inhibitor of DPP4, with an IC50 value of 19nM in Caco-2 cells. |
| HTC | 2933990090 |
| SMILES | FC(F)(F)c1[n]2c(nn1)CN(CC2)C(=O)C[C@H](N)Cc3c(cc(c(c3)F)F)F.[P](=O)(O)(O)O.O |
| InChI | 1S/C16H15F6N5O.H3O4P.H2O/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;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1 |
| InChI Key | GQPYTJVDPQTBQC-KLQYNRQASA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/57813_1_654671_77_9.pdf |
| Use of | Properties Name Sitagliptin phosphate monohydrate Synonym More Synonyms Sitagliptin phosphate monohydrate Biological Activity Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Metabolic Enzyme/Protease >> Dipeptidyl Peptidase Research Areas >> Metabolic Disease References [1]. Thomas, L., et al. (R)-8-(3-amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylm ethyl)-3,7-dihydro-purine-2,6-dione (BI 1356), a novel xanthine-based dipeptidyl peptidase 4 inhibitor, has a superior potency and longer duration of acti [2]. Kim, S.J., et al., Dipeptidyl peptidase IV inhibition with MK0431 improves islet graft survival in diabetic NOD mice partially via T-cell modulation. Diabetes, 2009. 58(3): p. 641-51. [3]. Sangle, G.V., et al., Novel biological action of the dipeptidylpeptidase-IV inhibitor, sitagliptin, as a glucagon-like peptide-1 secretagogue. Endocrinology, 2012. 153(2): p. 564-73. [4]. Kim, S.J., et al., Inhibition of dipeptidyl peptidase IV with sitagliptin (MK0431) prolongs islet graft survival in streptozotocin-induced diabetic mice. Diabetes, 2008. 57(5): p. 1331-9. [5]. Beconi, M.G., et al. Disposition of the dipeptidyl peptidase 4 inhibitor sitagliptin in rats and dogs. Drug Metab Dispos, 2007. 35(4): p. 525-32. Chemical & Physical Properties Molecular Formula C16H20F6N5O6P Exact Mass 523.105530 PSA 173.84000 LogP 1.66180 InChIKey GQPYTJVDPQTBQC-KLQYNRQASA-N Safety Information Hazard Codes Xn RIDADR NONH for all modes of transport HS Code 2933990090 Synthetic Route Sitagliptin CAS#:486460-32-6 Sitagliptin pho... CAS#:654671-77-9 Literature: Lin, Kuaile; Cai, Zhengyan; Zhou, Weicheng Synthetic Communications, 2013 , vol. 43, # 24 p. 3281 - 3286 (2Z)-4-Oxo-4-[3... CAS#:764667-65-4 Sitagliptin pho... CAS#:654671-77-9 Literature: Synthetic Communications, , vol. 43, # 24 p. 3281 - 3286 (2Z)-1-[5,6-Dih... CAS#:1169707-29-2 Sitagliptin pho... CAS#:654671-77-9 Literature: Synthetic Communications, , vol. 43, # 24 p. 3281 - 3286 Precursor & DownStream Precursor 7 CAS#:486460-32-6 Sitagliptin CAS#:764667-65-4 (2Z)-4-Oxo-4-[3... CAS#:1169707-29-2 (2Z)-1-[5,6-Dih... CAS#:868071-17-4 (3S)-2',4',5'-t... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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