(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
- Empirical Formula: C16H13F6N5O2
- Molecular Weight: 421.3
- MDL number: MFCD32669788
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-09-05 11:06:02
What is (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?
The Uses of (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
(10R)-Sitagliptin Triazecine Analog is related to the family of Sitagliptin compounds which has recently been approved for the therapy of type II diabetes.
Properties of (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
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) |
form | Solid |
pka | 12.02±0.40(Predicted) |
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 |
Safety information for (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
Computed Descriptors for (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
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 |
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product: 2088771-61-1 Sitagliptin Triazecine Impurity 98%
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