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NDI-091143

Cat. No. M9587
NDI-091143 Structure
Size Price Availability Quantity
5mg USD 70  USD70 In stock
10mg USD 120  USD120 In stock
25mg USD 250  USD250 In stock
50mg USD 450  USD450 In stock
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Quality Control & Documentation
Biological Activity

NDI-091143 is a novel potent inhibitor of human ATP-citrate lyase with an IC50 of 2.1 nM (ADP-Glo assay). NDI-091143 inhibits ACLY catalysis allosterically, by stabilizing large conformational changes in the citrate domain. The thermal shift data are consistent with limited proteolysis experiments using full-length ACLY, in which NDI-091143 together with Mg-ATP provided the greatest protection against digestion by chymotrypsin.

Product Citations
Chemical Information
Molecular Weight 453.84
Formula C20H14ClF2NO5S
CAS Number 2375840-87-0
Solubility (25°C) DMSO ≥ 60 mg/mL
Storage Powder          -20°C   3 years ;  4°C   2 years
In solvent       -80°C   6 months ;  -20°C   1 month
Conversion of different model animals based on BSA (PMID: 27057123)
Species Mouse Rat Rabbit Guinea pig Hamster Dog
Weight (kg) 0.02 0.15 1.8 0.4 0.08 10
Body Surface Area (m2) 0.007 0.025 0.15 0.05 0.02 0.5
Km factor 3 6 12 8 5 20
Animal A (mg/kg) = Animal B (mg/kg) multiplied by  Animal B Km
Animal A Km

For example, to modify the dose of Compound A used for a mouse (20 mg/kg) to a dose based on the BSA for a rat, multiply 20 mg/kg by the Km factor for a mouse and then divide by the Km factor for a rat. This calculation results in a rat equivalent dose for Compound A of 10 mg/kg.

References

[1] Carlotta Granchi. Trends Pharmacol Sci. Discovery of Allosteric Inhibition of Human ATP-Citrate Lyase

[2] Jia Wei, et al. Nature. An Allosteric Mechanism for Potent Inhibition of Human ATP-citrate Lyase

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