Synonym
EF-7412; EF7412; EF 7412;
IUPAC/Chemical Name
N-(3-(4-(4-(1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)butyl)piperazin-1-yl)phenyl)ethanesulfonamide
InChi Key
APHPLOYRLDEZMD-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,20,23H,2-4,6,9-16H2,1H3
SMILES Code
CCS(=O)(Nc1cc(N2CCN(CC2)CCCCN3C(C4CCCN4C3=O)=O)ccc1)=O
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
463.60
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 |
1: López-Rodríguez ML, Morcillo MJ, Fernández E, Rosado ML, Pardo L, Schaper K. Synthesis and structure-activity relationships of a new model of arylpiperazines. Study of the 5-HT(1a)/alpha(1)-adrenergic receptor affinity by classical hansch analysis, artificial neural networks, and computational simulation of ligand recognition. J Med Chem. 2001 Jan 18;44(2):198-207. doi: 10.1021/jm000930t. PMID: 11170629.
2: López-Rodríguez ML, Morcillo MJ, Fernández E, Porras E, Orensanz L, Beneytez ME, Manzanares J, Fuentes JA. Synthesis and structure-activity relationships of a new model of arylpiperazines. 5. Study of the physicochemical influence of the pharmacophore on 5-HT(1a)/alpha(1)-adrenergic receptor affinity: synthesis of a new derivative with mixed 5-HT(1a)/d(2) antagonist properties. J Med Chem. 2001 Jan 18;44(2):186-97. doi: 10.1021/jm000929u. PMID: 11170628.
3: López-Rodríguez ML, Morcillo MJ, Fernández E, Rosado ML, Orensanz L, Beneytez ME, Manzanares J, Fuentes JA, Schaper KJ. Design and synthesis of 2-[4-[4-(m-(ethylsulfonamido)-phenyl) piperazin-1-yl]butyl]-1,3-dioxoperhydropyrrolo[1,2-c]imidazole (EF-7412) using neural networks. A selective derivative with mixed 5-HT1A/D2 antagonist properties. Bioorg Med Chem Lett. 1999 Jun 21;9(12):1679-82. doi: 10.1016/s0960-894x(99)00254-1. PMID: 10397500.
