Sitagliptin Phosphate Monohydrate

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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.

Chemical Structure

Sitagliptin Phosphate Monohydrate
CAS# 654671-77-9 (Phosphate hydrate)

Theoretical Analysis

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

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1.0g USD 90.0 Same day
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5.0g USD 350.0 Same day
10.0g USD 550.0 Same day
20.0g USD 950.0 Same day
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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 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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.