1. Metabolic Enzyme/Protease
  2. Carbamoyl Phosphate Synthetase (CPS)
  3. H3B-616

H3B-616 is a selective carbamoyl phosphate synthetase 1 (CPS1) inhibitor with a human IC50 of 66 nM. H3B-616 binds to an allosteric pocket in the CPS1 integrating domain to exert target engagement and inhibit enzyme activity. H3B-616 can be used for the research of nonsmall cell lung cancer and gastric cancer.

For research use only. We do not sell to patients.

H3B-616

H3B-616 Chemical Structure

CAS No. : 2468199-06-4

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Description

H3B-616 is a selective carbamoyl phosphate synthetase 1 (CPS1) inhibitor with a human IC50 of 66 nM. H3B-616 binds to an allosteric pocket in the CPS1 integrating domain to exert target engagement and inhibit enzyme activity. H3B-616 can be used for the research of nonsmall cell lung cancer and gastric cancer[1][2].

IC50 & Target[1]

CPS I

66 nM (IC50)

Cellular Effect
Cell Line Type Value Description References
Sf21 IC50
0.066 μM
Compound: 25; H3B-616
Allosteric inhibition of His-tagged CPS1 (unknown origin) expressed in baculovirus infected Sf21 insect cells assessed as reduction in ADP level preincubated for 20 mins followed by ATP addition measured after 60 mins by ADP-Glo assay
Allosteric inhibition of His-tagged CPS1 (unknown origin) expressed in baculovirus infected Sf21 insect cells assessed as reduction in ADP level preincubated for 20 mins followed by ATP addition measured after 60 mins by ADP-Glo assay
[PMID: 32551016]
In Vitro

H3B-616 (Compound 25) potently inhibits purified human CPS1 enzyme activity with an IC50 of 66 nM[1].
H3B-616 does not appreciably inhibit purified human CPS2 enzyme activity, with an IC50 of ≥100 μM[1].
H3B-616 (0.01-100 μM; 16 h) potently inhibits CPS1 activity (urea production) in primary human hepatocytes with an IC50 of 0.24 μM[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

409.45

Formula

C23H24FN3O3

CAS No.
SMILES

O=C(N1C[C@H](N([C@@H](C1)C)C(C2=C(C=C(C=C2)OC)F)=O)C)C3=CC=C(C=CN4)C4=C3

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Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation
References
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  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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Product Name:
H3B-616
Cat. No.:
HY-183888
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