Sitagliptin N-sulfate
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Hodoodo CAT#: H574283

CAS#: 2470126-25-9 (N-sulfate)

Description: Sitagliptin N-sulfate is a phase II metabolite of the dipeptidyl peptidase 4 (DPP-4) inhibitor (–)-sitagliptin. Sitagliptin N-sulfate is formed via sulfation.

Chemical Structure

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Sitagliptin N-sulfate
CAS# 2470126-25-9 (N-sulfate)
Instruction

Theoretical Analysis

Hodoodo Cat#: H574283
Name: Sitagliptin N-sulfate
CAS#: 2470126-25-9 (N-sulfate)
Chemical Formula: C16H14F6N5NaO4S
Exact Mass: 0.00
Molecular Weight: 509.360
Elemental Analysis: C, 37.73; H, 2.77; F, 22.38; N, 13.75; Na, 4.51; O, 12.56; S, 6.29

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1mg USD 600
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Synonym: Sitagliptin N-sulfate

IUPAC/Chemical Name: (R)-(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-yl)sulfamate, monosodium salt

InChi Key: FYMJQXVEWOAVBS-SBSPUUFOSA-M

InChi Code: InChI=1S/C16H15F6N5O4S.Na/c17-10-6-12(19)11(18)4-8(10)3-9(25-32(29,30)31)5-14(28)26-1-2-27-13(7-26)23-24-15(27)16(20,21)22;/h4,6,9,25H,1-3,5,7H2,(H,29,30,31);/q;+1/p-1/t9-;/m1./s1

SMILES Code: FC1=CC(C[C@@H](NS([O-])(=O)=O)CC(N2CC3=NN=C(C(F)(F)F)N3CC2)=O)=C(F)C=C1F.[Na+]

Appearance: Solid powder

Purity: >95% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 509.36 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1. Beconi, M.G., Reed, J.R., Teffera, Y., et al. Disposition of the dipeptidyl peptidase 4 inhibitor sitagliptin in rats and dogs. Drug Metab. Dispos. 35(4), 525-532 (2007).