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Trelagliptin succinate - 99%, high purity , Dipeptidyl peptidase IV inhibitor, CAS No.1029877-94-8, Dipeptidyl peptidase IV inhibitor

COA

Grade & Purity:

≥99%

Cas Number: 1029877-94-8
Molecular Weight: 475.47
PubChem CID: 44183569
PubChem SID: 504770303

In stock

Item Number

T413220

Grouped product items
SKU	Size	Availability	Price
T413220-25mg	25mg	3	$47.90
T413220-100mg	100mg	3	$157.90
T413220-250mg	250mg	3	$355.90
T413220-1g	1g	2	$1,279.90
T413220-5g	5g	2	$5,759.90

DPP-4 Inhibitors

View related series

Amino Acid/Protein Metabolism (1836) Dipeptidyl Peptidase (57) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	AC-28020 \| SYR 472 \| D10179 \| Q27258374 \| SYR 111472 succinate \| TRELAGLIPTIN SUCCINATE [JAN] \| 1029877-94-8 \| F20669 \| SCHEMBL878010 \| AS-10248 \| Trelagliptin (succinate) \| TRELAGLIPTIN SUCCINATE [WHO-DD] \| WLN: Q1YQ1OR DG \| SYR-472 succinate \| Butanedio
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Trelagliptin succinate (SYR472) is a dipeptidyl peptidase IV (DPP-4) inhibitor which is used as a new long-acting drug for once-weekly treatment of type 2 diabetes mellitus (DM).
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	INHIBITOR
Mechanism of action	Dipeptidyl peptidase IV inhibitor
Product Description	Information Trelagliptin succinate Trelagliptin succinate (SYR472) is a dipeptidyl peptidase IV (DPP-4) inhibitor which is used as a new long-acting drug for once-weekly treatment of type 2 diabetes mellitus (DM). Targets DPP-4 (Cell-free assay) 4 nM In vitro Trelagliptin is selective over other related DPP enzymes, P450 enzymes and hERG channel. It exhibits approximately 4- and 12-fold more potent inhibition against human dipeptidyl peptidase-4 than alogliptin and sitagliptin, respectively, and >10,000-fold selectivity over related proteases including dipeptidyl peptidase-8 and dipeptidyl peptidase-9. Kinetic analysis reveals reversible, competitive and slow-binding inhibition of dipeptidyl peptidase-4 by trelagliptin (t1/2 for dissociation ≈ 30 minutes). X-ray diffraction data indicates a non-covalent interaction between dipeptidyl peptidase and trelagliptin.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Dialkylarylamines Pyrimidones Aminopiperidines Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Hydropyrimidines Dicarboxylic acids and derivatives Fatty acids and conjugates Vinylogous amides Heteroaromatic compounds Ureas Lactams Nitriles Azacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Dialkylarylamine - Benzonitrile - Fluorobenzene - Pyrimidone - Halobenzene - Aminopyrimidine - 3-aminopiperidine - Aryl fluoride - Aryl halide - Hydropyrimidine - Dicarboxylic acid or derivatives - Fatty acid - Pyrimidine - Piperidine - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organooxygen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Cyanide - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	-1.362
HBD Count	1
Rotatable Bond	6

Names and Identifiers

Pubchem Sid	504770303
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770303
IUPAC Name	2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile;butanedioic acid
INCHI	InChI=1S/C18H20FN5O2.C4H6O4/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20;5-3(6)1-2-4(7)8/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3;1-2H2,(H,5,6)(H,7,8)/t15-;/m1./s1
InChIKey	OGCNTTUPLQTBJI-XFULWGLBSA-N
Smiles	CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCCC(C3)N.C(CC(=O)O)C(=O)O
Isomeric SMILES	CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCC[C@H](C3)N.C(CC(=O)O)C(=O)O
PubChem CID	44183569
Molecular Weight	475.47

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
J2227782	Certificate of Analysis	Sep 21, 2022	T413220
J2227748	Certificate of Analysis	Sep 21, 2022	T413220
J2227732	Certificate of Analysis	Sep 21, 2022	T413220
J2227740	Certificate of Analysis	Sep 21, 2022	T413220
J2227752	Certificate of Analysis	Sep 21, 2022	T413220

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 95 mg/mL (199.8 mM); Water: 95 mg/mL (199.8 mM); Ethanol: 5 mg/mL (10.51 mM);
DMSO(mg / mL) Max Solubility	95
DMSO(mM) Max Solubility	199.8023009
Water(mg / mL) Max Solubility	95
Water(mM) Max Solubility	199.8023009
Molecular Weight	475.500 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	475.187 Da
Monoisotopic Mass	475.187 Da
Topological Polar Surface Area	168.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	750.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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