ChemicalBook > CAS DataBase List > Sitagliptin phosphate monohydrate

Sitagliptin phosphate monohydrate

Product Name: Sitagliptin phosphate monohydrate
CAS No.: 654671-77-9
Chemical Name: Sitagliptin phosphate monohydrate
Synonyms: Sitagliptin phosphate hydrate;Sitagliptin monohydrate;(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;Sitagliptin Phosphate.H2O;(R)-3-Amino-1-(3-(trifluor;itagliptin phosphate monohydrate;(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 hydrate;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]pyrazinephosphatemonohydrate;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 (1:1) monohydrate;D06645
CBNumber: CB11011754
Molecular Formula: C16H20F6N5O6P
Formula Weight: 523.32
MOL File: 654671-77-9.mol

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Sitagliptin phosphate monohydrate Property

Flash point:: 274.3℃
storage temp.: 2-8°C
solubility: ≥23.8 mg/mL in DMSO; insoluble in EtOH; ≥30.6 mg/mL in H2O with ultrasonic
form: solid
color: White to off-white
optical activity: -5.53°(C=0.60g/100mL, NAOH, 20°C, 589nm)
InChI: InChI=1/C16H15F6N5O.H3O4P/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)/t9-;/s3
InChIKey: IQFYVLUXQXSJJN-OVMXBOEKNA-N
SMILES: P(O)(O)(O)=O.C(C1=NN=C2CN(C(=O)C[C@H](N)CC3C=C(F)C(F)=CC=3F)CCN12)(F)(F)F |&1:15,r|
CAS DataBase Reference: 654671-77-9(CAS DataBase Reference)

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Safety

Risk Statements: 28-38-41-48-62-63
Safety Statements: 24/25-26-28-36/37/39
HS Code: 29335990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H319Causes serious eye irritation

H373May cause damage to organs through prolonged or repeated exposure

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P314Get medical advice/attention if you feel unwell.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: Y0001812
Product name: Sitagliptin phosphate monohydrate
Purity: European Pharmacopoeia (EP) Reference Standard
Packaging: 120 mg
Price: $236
Updated: 2025/07/31

Sigma-Aldrich

Product number: PHR1857
Product name: Sitagliptin Phosphate
Purity: Pharmaceutical Secondary Standard; Certified Reference Material
Packaging: 1g
Price: $176.7
Updated: 2025/07/31

Sigma-Aldrich

Product number: 1612903
Product name: Sitagliptin phosphate
Purity: United States Pharmacopeia (USP) Reference Standard
Packaging: 200mg
Price: $425
Updated: 2025/07/31

Sigma-Aldrich

Product number: Y0001812
Product name: Sitagliptin phosphate monohydrate
Purity: EuropePharmacopoeia (EP) Reference Standard
Packaging: y0001812
Price: $220
Updated: 2024/03/01

American Custom Chemicals Corporation

Product number: API0000800
Product name: SITAGLIPTIN PHOSPHATE MONOHYDRATE
Purity: 95.00%
Packaging: 1G
Price: $918.23
Updated: 2021/12/16

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Sitagliptin phosphate monohydrate Chemical Properties,Usage,Production

Chemical Properties

white crystalline

Uses

antimuscarinic

Uses

Sitagliptin Phosphate Monohydrate is a dipeptidyl peptidase-IV (DPPIV) inhibitor.

Biological Activity

sitagliptin phosphate monohydrate is the phosphate salt of its active component, sitagliptin, with one molecule of water. sitagliptin is a potent inhibitor of dipeptidyl peptidase 4 (dpp-4), an enzyme catalyzing the cleavage of peptides with an n-terminal alanine or proline amino acid residue, that selectively inhibits dpp-4 with 50% inhibition concentration ic50 value of 18 nm and shows no affinity towards other ddp enzymes (such as ddp-8 and ddp-9). the inhibition of dpp4 by sitagliptin has been found to be mediated by increasing levels of two dpp-4 substrates, including glucagon-like peptide-1 (glp-1) and gastric inhibitory polypeptide (gip). sitagliptin is currently being investigated in the treatment of type ii diabetes.gallwitz b. review of sitagliptin phosphate: a novel treatment for type 2 diabetes. vasc health risk manag. 2007;3(2):203-10.

Synthesis

486460-32-6

654671-77-9

The general procedure for the synthesis of (R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one as a raw material and its phosphate hydrate was carried out in the following manner: 8.14 g of (R)-3-amino-1-( 3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one, 16.3 mL of isopropanol, and 7.3 mL of water, followed by the slow dropwise addition of 1.73 mL of 85% (v/v) phosphoric acid aqueous solution. The temperature of the reaction system was raised to 80 °C until complete dissolution to form a clear solution. The solution was then cooled to 70 °C and the reaction was continuously stirred at this temperature for 2 hours. Upon completion of the reaction, the mixture was cooled to 54 °C at a rate of 8 °C/h and then continued to cool to 22 °C at a rate of 16 °C/h, at which point a large amount of white solid precipitated. 57 mL of isopropanol was added slowly over a period of 40 minutes and stirring was continued for 15 minutes after addition. The white solid was collected by diafiltration and washed twice with 40.7 mL of mixed isopropanol-water solvent (V/V=11:1). Finally, the product was dried under vacuum at 25 °C and -0.08 MPa for 5.5 h to give 10.22 g of white crystalline solid. The purity was 99.91% by HPLC, the moisture content was 3.54% and the molar yield was 97.7%.

target

DPP-4

References

[1] Patent: CN105175422, 2018, B. Location in patent: Paragraph 0070; 0077; 0080; 0083; 0086; 0089; 0092; 0095
[2] Synthetic Communications, 2013, vol. 43, # 24, p. 3281 - 3286
[3] Patent: WO2006/33848, 2006, A1. Location in patent: Page/Page column 14
[4] Patent: WO2005/30127, 2005, A2. Location in patent: Page/Page column 13
[5] Patent: US2013/158265, 2013, A1. Location in patent: Paragraph 0204

Sitagliptin phosphate monohydrate Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Sitagliptin phosphate monohydrate manufacturers

Shaanxi Dideu New Materials Co. Ltd

Product: Sitagliptin phosphate monohydrate 654671-77-9
Price: US $0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1000KG
Release date: 2025-09-28

Sinoway Industrial co., ltd.

Product: Sitagliptin phosphate monohydrate 654671-77-9
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99% up by HPLC
Supply Ability: 20TONS
Release date: 2025-07-04

Wuhan JiyunZen Tech Co., Ltd.

Product: Sitagliptin phosphate monohydrate 654671-77-9
Price: US $5.00-0.50/KG
Min. Order: 0.10000000149011612KG
Purity: 99% hplc
Supply Ability: 5000kg
Release date: 2025-06-06

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Sitagliptin monohydrate

Sitagliptin Phosphate.H2O

Sitagliptin Monophosphate Monohydrate

(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 hydrate

Sitaglipin Phosphate Monohydrate

(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

(R)-3-Amino-1-(3-(trifluor

Sitagliptin posphate monohydrate

Sitagliptin phosphate monohydrate, 97%, DPP-IV inhibitor

Sitagliptin phosphate monohydrate 99%

sitagpliptin monohydrate

(2R)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine Dihydrogen Phosphate Monohydrate

Sitagliptin phosephate monohydrate

MK-0431 PHOSPHATE MONOHYDRATE

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]pyrazinephosphatemonohydrate

Sitagliptin phosphate monohydrate 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 mon

Sitagliptin phosphate monohydrate, >=99%

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 (1:1) monohydrate

(R)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4

Sitagliptin phosphate monohydrate

Sitagliptin phosphate for research

D06645

Januvia (tn)

Sitagliptin phosphate (usan)

Sitagliptin phosphate hydrate

Sitagliptin phosphate hydrate (jan)

Sitagliptin phosphate monohydrate CRS

Creatinine, Uric acid, Urea, Glucose

Siglitatin phosphate

1,2,4-Triazolo[4,3-a]pyrazine,7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, phosphate (1:1), monohydrate

Sitagliptin phosphate monohydrate USP/EP/BP

Sitagliptin Phosphate Monohydrate Please see S491000

Sitagliptin phosphate monohydrate (API)

Manufacturer Supplying High Quality Sitagliptin Phosphate Monohydrate API with CAS 654671-77-9

Sitagliptin phosphate (Monohydrate)Q: What is Sitagliptin phosphate (Monohydrate) Q: What is the CAS Number of Sitagliptin phosphate (Monohydrate) Q: What is the storage condition of Sitagliptin phosphate (Monohydrate)

Sitagliptin Phosphate (1612903)

itagliptin phosphate monohydrate

SIT-12

(R)-Sitaglipin Phosphate Monohydrate

1-Octen-3-ol 3391-86-4

SITAGLIPTIN PHOSAPHATE MONOHYDRATE-IP

Sitagliptin Phosphate Monohydrate-IP /USP/BP

Sitagliptin Impurity 20 Phosphate Monohydrate

Sitagliptin Impurity 15 Phosphate Monohydrate

Sitagliptin phosphate monohydrate, 10 mM in DMSO

SITAGLIPTIN PHOSPHATE MONOHYDRATE USP

SITAGLIPTIN PHOSPHATE MONOHYDRATE NON-STERILE BULK DRUG SUBSTANCE

Sitagliptin phosphate monohydrate - Bio-X ?

Sitagliptin Phosphate Water

Sitagliptin monophosphate monohydrate, 98%~102%

654671-77-9

C16H20F6N5O6P

C16H15F6N5OH3PO4H2O

C16H15F6N5OH3O4PH2O

C16H15F6N5OH2OH3O4P

Inhibitors

Inhibitor