WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 462455
CAS#: 2194903-42-7
Description: H3B-120 is a highly selective, competitive and allosteric carbamoyl phosphate synthetase 1 (CPS1) inhibitor that has anti-cancer activity.
MedKoo Cat#: 462455
Name: H3B-120
CAS#: 2194903-42-7
Chemical Formula: C19H24N4O2S
Exact Mass: 372.162
Molecular Weight: 372.487
Elemental Analysis: C, 61.27; H, 6.49; N, 15.04; O, 8.59; S, 8.61
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
| 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 | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 68.75 | 184.57 | |
| Ethanol | 19.0 | 51.01 |
The following data is based on the product molecular weight 372.487 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: | 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 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
