H3B-616

Cat. No.: HY-183888: Data Sheet Handling Instructions
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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 Chemical Structure

CAS No. : 2468199-06-4

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CPS I

Biological Activity
Purity & Documentation
References
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Description

IC₅₀ & Target^[1]

CPS I

66 nM (IC₅₀)

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.

2468199-06-4

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

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Rolfe A, et al. Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1. ACS Med Chem Lett. 2020;11(6):1305-1309. Published 2020 May 26. [Content Brief]

[2]. Gavande NS, et al. Structure-Guided Optimization of Replication Protein A (RPA)-DNA Interaction Inhibitors. ACS Med Chem Lett. 2020;11(6):1118-1124. Published 2020 Jan 2.

H3B-616 Related Classifications

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass		Concentration		Volume		Molecular Weight *
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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)	×	Volume _(start)	=	Concentration _(final)	×	Volume _(final)
	×		=		×
C1		V1		C2		V2

Help & FAQs

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.

Keywords:

H3B-6162468199-06-4Carbamoyl Phosphate Synthetase (CPS)CPSnonsmall cell lung cancergastric cancerCPS1CPS2primary human hepatocytescarbamoyl phosphate synthetase 1Inhibitorinhibitorinhibit

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