WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 300146
CAS#: 654671-77-9 (Phosphate hydrate)
Description: Sitagliptin (INN; previously identified as MK-0431 and sold under the trade name Januvia) is an oral antihyperglycemic (anti-diabetic drug) of the dipeptidyl peptidase-4 (DPP-4) inhibitor class. It was developed and is marketed by Merck & Co. This enzyme-inhibiting drug is used either alone or in combination with other oral antihyperglycemic agents (such as metformin or a thiazolidinedione) for treatment of diabetes mellitus type 2. The benefit of this medicine is its lower side-effects (e.g., less hypoglycemia, less weight gain) in the control of blood glucose values. Exenatide (Byetta) also works by its effect on the incretin system.
MedKoo Cat#: 300146
Name: Sitagliptin Phosphate Monohydrate
CAS#: 654671-77-9 (Phosphate hydrate)
Chemical Formula: C16H15F6N5O
Exact Mass:
Molecular Weight: 523.33
Elemental Analysis: C, 36.72; H, 3.85; F, 21.78; N, 13.38; O, 18.34; P, 5.92
Related CAS #: 654671-77-9 (Phosphate hydrate) 486460-32-6 (free base) 654671-78-0 (Phosphate)
Synonym: MK0431; MK 0431; MK-0431; Sitagliptin Phosphate; Sitagliptin Phosphate Monohydrate; Januvia Xelevia Janumet
IUPAC/Chemical Name: (R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one Phosphate Monohydrate.
InChi Key: GQPYTJVDPQTBQC-KLQYNRQASA-N
InChi Code: 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
SMILES Code: O=C(N1CC2=NN=C(C(F)(F)F)N2CC1)C[C@H](N)CC3=CC(F)=C(F)C=C3F.O=P(O)(O)O.[H]O[H]
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO.
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 523.33 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Garg K, Tripathi CD, Kumar S. Clinical review of sitagliptin: a DPP-4 inhibitor. J Assoc Physicians India. 2013 Sep;61(9):645-9. Review. PubMed PMID: 24772702.
