H3B-120 | CAS#2194903-42-7 | CPS1 inhibitor

MedKoo Cat#: 462455 | Name: H3B-120

Description:

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

H3B-120 is a highly selective, competitive and allosteric carbamoyl phosphate synthetase 1 (CPS1) inhibitor that has anti-cancer activity.

Chemical Structure

H3B-120

CAS#2194903-42-7

Theoretical Analysis

MedKoo Cat#: 462455

Name: H3B-120

CAS#: 2194903-42-7

Chemical Formula: C19H24N4O2S

Exact Mass: 372.1620

Molecular Weight: 372.49

Elemental Analysis: C, 61.27; H, 6.49; N, 15.04; O, 8.59; S, 8.61

Price and Availability

Size	Price	Availability
5mg	USD 350.00	2 Weeks
10mg	USD 550.00	2 Weeks
25mg	USD 950.00	2 Weeks

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Related CAS #

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Synonym

H3B-120; H3B 120; H3B120

IUPAC/Chemical Name

N1-benzyl-N1-methyl-N4-(4-methylthiazol-2-yl)piperidine-1,4-dicarboxamide

InChi Key

ZEVOZXRSCSSPAO-UHFFFAOYSA-N

InChi Code

InChI=1S/C19H24N4O2S/c1-14-13-26-18(20-14)21-17(24)16-8-10-23(11-9-16)19(25)22(2)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,20,21,24)

SMILES Code

CN(C(N1CCC(C(NC2=NC(C)=CS2)=O)CC1)=O)CC3=CC=CC=C3

Appearance

Solid powder

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

Soluble in DMSO

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

H3B-120 is a highly selective, competitive and allosteric carbamoyl phosphate synthetase 1 (CPS1) inhibitor with an IC50 of 1.5 μM and a Ki of 1.4 μM. H3B-120 has anti-cancer activity.

In vitro activity:

H3B-120 was able to inhibit urea production in a dose-dependent manner, although the cellular potency decreased significantly compared with enzymatic assays (Figure 6A). Reference: Cell Chem Biol. 2020 Mar 19;27(3):259-268.e5. https://pubmed.ncbi.nlm.nih.gov/32017919/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	68.8	184.57
	Ethanol	19.0	51.01

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 372.49 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.

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:

1. Yao S, Nguyen TV, Rolfe A, Agrawal AA, Ke J, Peng S, Colombo F, Yu S, Bouchard P, Wu J, Huang KC, Bao X, Omoto K, Selvaraj A, Yu L, Ioannidis S, Vaillancourt FH, Zhu P, Larsen NA, Bolduc DM. Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket. Cell Chem Biol. 2020 Mar 19;27(3):259-268.e5. doi: 10.1016/j.chembiol.2020.01.009. Epub 2020 Feb 3. PMID: 32017919.

In vitro protocol:

In vivo protocol:

TBD

1: Yao S, Nguyen TV, Rolfe A, et al. Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket. Cell Chem Biol. 2020;27(3):259-268.e5. doi:10.1016/j.chembiol.2020.01.009