MedKoo Cat#: 127463 | Name: LY3522348
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

LY3522348, also known as KHK-IN-3, is a ketohexokinase (KHK) inhibitor.

Chemical Structure

LY3522348
LY3522348
CAS#2568608-48-8

Theoretical Analysis

MedKoo Cat#: 127463

Name: LY3522348

CAS#: 2568608-48-8

Chemical Formula: C18H22F3N7O

Exact Mass: 409.1838

Molecular Weight: 409.42

Elemental Analysis: C, 52.81; H, 5.42; F, 13.92; N, 23.95; O, 3.91

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
25mg USD 950.00 2 Weeks
100mg USD 1,650.00 2 Weeks
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Related CAS #
No Data
Synonym
KHK IN-3; KHK-IN-3; LY3522348; LY-3522348; LY 3522348
IUPAC/Chemical Name
(S)-2-(4-(2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(piperazin-1-yl)ethan-1-one
InChi Key
HAUDFIFEGDNKJX-LBPRGKRZSA-N
InChi Code
InChI=1S/C18H22F3N7O/c1-12-2-5-28(12)17-24-14(8-15(25-17)18(19,20)21)13-9-23-27(10-13)11-16(29)26-6-3-22-4-7-26/h8-10,12,22H,2-7,11H2,1H3/t12-/m0/s1
SMILES Code
C[C@@H]1N(CC1)C2=NC(C(F)(F)F)=CC(C3=CN(N=C3)CC(N4CCNCC4)=O)=N2
Appearance
To be determined
Purity
>98% (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
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 409.42 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
[1]. Coates David Andrew, et al. Preparation of the disubstituted pyrazole compound and their medical applications. United States, US20200392118 A1. 2020-12-17. https://patents.google.com/patent/US20200392118A1/en?oq=US20200392118