rac-Sitagliptin

ISO 17034:
Catalog Number : CS-T-61321
CAS Number : 823817-56-7
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Product Information

Product Name : rac-Sitagliptin
Category : API Standards
Synonyms : 7-[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 ;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;sitagliptin monophosphate monohydrate;sitagliptin phosphate.
Molecular Weight : 47.31 mol/g
Molecular Formula : C₁₆H₁₅F₆N₅O
Application : A trizolopyrazine dipeptidyl peptidase IV inhibitor. It has recently been approved for the therapy of type II diabetes.
Therapeutic : Antibiotics

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References : Kim, D., et al.: J. Med. Chem., 48, 141 (2005), Ahren, B., et al.: Eur. J. Pharmacol., 521 164 (2005),
Canonical SMILES : C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N
Isomeric SMILES : C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N
InChI : InChI=1S/C16H15F6N5O/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/h4,6,9H,1-3,5,7,23H2
InchIKey : MFFMDFFZMYYVKS-UHFFFAOYSA-N
IUPAC Name : 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
Exact Mass : 407.11807909
Hazard Class : Acute Tox. 4 (94.87%)