ChemicalBook >> CAS DataBase List >>(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione

(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione

CAS No.
2088771-61-1
Chemical Name:
(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
Synonyms
Impurity FP-B;Sitagliptin-17;Sitagliptin Impurity 20;Sitagliptin FP Impurity B;Sitagliptin Impurity FP-B;Sitagliptin Triazecine Impurity;(R)-Sitagliptin Tablets EP Impurity FP-B;(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl);Sitagliptin FP Impurity B/ Sitagliptin Triazecine Analog;(R)-Sitagliptin Tablets EP Impurity FP-B ((R)-Sitagliptin Triazecine Analog)
CBNumber:
CB23371367
Molecular Formula:
C16H13F6N5O2
Molecular Weight:
421.3
MDL Number:
MFCD32669788
MOL File:
2088771-61-1.mol
Last updated:2023-09-05 11:06:02

(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione Properties

Melting point >189°C (dec.)
Density 1.67±0.1 g/cm3(Predicted)
storage temp. -20°C Freezer, Under inert atmosphere
solubility DMSO (Slightly), Methanol (Slightly)
pka 12.02±0.40(Predicted)
form Solid
color White to Off-White
InChI InChI=1S/C16H13F6N5O2/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)23-1-2-27-13(14(29)24-8)25-26-15(27)16(20,21)22/h4,6,8H,1-3,5H2,(H,23,28)(H,24,29)/t8-/m1/s1
InChIKey CJUCSNDPMOGZTM-MRVPVSSYSA-N
SMILES N1[C@H](CC2=CC(F)=C(F)C=C2F)CC(=O)NCCN2C(C(F)(F)F)=NN=C2C1=O
FDA UNII 6EV5E35ZMR

(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione Chemical Properties,Uses,Production

Uses

(10R)-Sitagliptin Triazecine Analog is related to the family of Sitagliptin compounds which has recently been approved for the therapy of type II diabetes.

(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione Preparation Products And Raw materials

Raw materials

Preparation Products

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Impurity FP-B Sitagliptin Impurity 20 Sitagliptin-17 Sitagliptin FP Impurity B (R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl) Sitagliptin impurity 6/Sitagliptin FP Impurity B/Sitagliptin Triazecine Analog/10-(2,4,5-Trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro [1,2,4] triazolo [3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione 1,2,4-Triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione, 6,7,10,11-tetrahydro-3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-, (10R)- (10R)?- 6,?7,?10,?11-?Tetrahydro-?3-?(trifluoromethyl)?-?10-?[(2,?4,?5-?trifluorophenyl)?methyl]?-1,?2,?4-?triazolo[3,?4-?c]?[1,?4,?7]?triazecine-?8,?12(5H,?9H)?-?dione Sitagliptin FP Impurity B/ Sitagliptin Triazecine Analog (R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione Sitagliptin Impurity FP-B (R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione? (Sitagliptin Impurity) Sitagliptin Triazecine Impurity (R)-Sitagliptin Tablets EP Impurity FP-B ((R)-Sitagliptin Triazecine Analog) (10R)-3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-5H,6H,7H,8H,9H,10H,11H,12H-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12-dione (R)-Sitagliptin Tablets EP Impurity FP-B 2088771-61-1 C16H13F6N5O2