Sitagliptin phosphate monohydrate

Also known as: Sitagliptin phosphate monohydrate, MK-0431, Januvia, Sitagliptin monophosphate monohydrate, Sitagliptin phosphate hydrate, (3R)-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 hydrate (1:1:1), 7-[(3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine phosphate monohydrate

Sitagliptin phosphate monohydrate (CAS 654671-77-9) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C16H20F6N5O6P and a molecular weight of 523.324 g/mol. Key properties include a boiling point of 529.9ºC at 760 mmHg and a flash point of 274.3ºC. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 654671-77-9
Jingsj CID: J-1974320-5
Molecular Formula: C₁₆H₂₀F₆N₅O₆P
Molecular Weight: 523.324 g/mol
Category: Organic Acids
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	529.9ºC at 760 mmHg
Flash Point	274.3ºC
Exact Mass	523.105530
PSA	173.84000
LogP	1.66180

Activity & Biological Data

Target	IC50: 19 nM (DPP4, in Caco-2 cell extracts)
Additional Information	[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.

Target

IC50: 19 nM (DPP4, in Caco-2 cell extracts)

Additional Information

[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.

Customs & Trade Information

HS Code	2933990090
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%

Frequently Asked Questions

What is the CAS number of Sitagliptin phosphate monohydrate?

The CAS number of Sitagliptin phosphate monohydrate is 654671-77-9.

What are the molecular formula and molecular weight of Sitagliptin phosphate monohydrate?

Sitagliptin phosphate monohydrate has molecular formula C16H20F6N5O6P and molecular weight 523.324 g/mol.

What are the upstream and downstream products of Sitagliptin phosphate monohydrate?

For Sitagliptin phosphate monohydrate, Upstream Products: Sitagliptin, (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one, (3S)-2',4',5'-trifluoro-3-hydroxybenzenebutanoic acid.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "Sitagliptin phosphate monohydrate (CAS 654671-77-9)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1974320-5 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.