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Sitagliptin phosphate - 98%, high purity , CAS No.654671-78-0

≥98%

CAS#: 654671-78-0
Formula: C₁₆H₁₅F₆N₅O.H₃PO₄
Molecular Weight: 505.31
MDL number: MFCD09952339
PubChem CID: 6451150

Item Number

S304295

Grouped product items
SKU	Size	Availability	Price
S304295-1g	1g	In stock	$34.90
S304295-5g	5g	In stock	$137.90
S304295-25g	25g	In stock	$480.90
S304295-100g	100g	In stock	$1,373.90

Potent and selective DPP IV inhibitor

Basic Description

Synonyms	Sitagliptin phosphate \| 654671-78-0 \| Sitagliptin (phosphate) \| MK-0431 \| UNII-494P4635I6 \| Sitagliptin monophosphate \| MK 431 \| sitagliptin phosphate anhydrous \| CHEMBL393336 \| 494P4635I6 \| DTXSID10215789 \| (2R)-4-Oxo-4-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)py
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Potent and selective DPP IV (DPP4) inhibitor (IC50= 18 nM). Displays >2600-fold selectivity for DDP IV over other proline specific peptidases. Reduces blood glucose and increases GLP-1 levels after oral glucose tolerance test in normal and diet-induced ob
Storage Temp	Store at 2-8°C
Shipped In	Wet ice
Product Description	Sitagliptin phosphate (mk-0431 phosphate) is an effective DPP4 inhibitor. In Caco-2 cells, the IC50 value is 19 nm

Associated Targets(Human)

DPP4 Tclin Dipeptidyl peptidase 4 (5 Activities)

Discover Target: DPP4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DPP8 Tchem Dipeptidyl peptidase VIII (2139 Activities)

Discover Target: DPP8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DPP9 Tchem Dipeptidyl peptidase IX (1624 Activities)

Discover Target: DPP9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid
INCHI	InChI=1S/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-;/m1./s1
InChi Key	IQFYVLUXQXSJJN-SBSPUUFOSA-N
Canonical SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.OP(=O)(O)O
Isomeric SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.OP(=O)(O)O
PubChem CID	6451150
Molecular Weight	505.31

Certificates

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4 results found

Lot Number	Certificate Type	Date	Item
G2101303	Certificate of Analysis	Apr 07, 2024	S304295
G2101304	Certificate of Analysis	Apr 07, 2024	S304295
G2101305	Certificate of Analysis	Apr 07, 2024	S304295
G2101307	Certificate of Analysis	Apr 07, 2024	S304295

Solubility

Solvent:water, Max Conc. mg/mL: 25.27, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 25.27, Max Conc. mM: 50

Flash Point(°C)

274.3ºC

Boil Point(°C)

529.9ºC

Melt Point(°C)

202-204°C

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H319:Causes serious eye irritation
Precautionary Statements	P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help.

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