EST64454 HCl
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 555898

CAS#: 1950569-11-5 (HCl)

Description: EST64454 is a Highly Soluble σ1 Receptor Antagonist Clinical Candidate for Pain Management. EST64454 shows an outstanding aqueous solubility, which together with its high permeability in Caco-2 cells will allow its classification as a BCS class I compound. It also shows high metabolic stability in all species, linked to an adequate pharmacokinetic profile in rodents, and antinociceptive properties in the capsaicin and partial sciatic nerve ligation models in mice.


Price and Availability

Size Price Shipping out time Quantity
100mg USD 1250 2 Weeks
200mg USD 1950 2 Weeks
500mg USD 2950 2 Weeks
1g USD 3950 2 Weeks
2g USD 6450 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2021-01-22. Prices are subject to change without notice.

EST64454 HCl is in stock.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 555898
Name: EST64454 HCl
CAS#: 1950569-11-5 (HCl)
Chemical Formula: C18H23ClF2N4O2
Exact Mass:
Molecular Weight: 400.8548
Elemental Analysis: C, 53.93; H, 5.78; Cl, 8.84; F, 9.48; N, 13.98; O, 7.98


Related CAS #: 1351438-26-0 (free base)   1950569-11-5 (HCl)    

Synonym: EST64454 HCl; EST64454 hydrochloride; EST64454; EST-64454; EST 64454;

IUPAC/Chemical Name: 1-(4-(2-((1-(3,4-difluorophenyl)-1H-pyrazol-3-yl)methoxy)ethyl)piperazin-1-yl)ethan-1-one hydrochloride

InChi Key: YJZGDOPAALDWAT-UHFFFAOYSA-N

InChi Code: InChI=1S/C18H22F2N4O2.ClH/c1-14(25)23-8-6-22(7-9-23)10-11-26-13-15-4-5-24(21-15)16-2-3-17(19)18(20)12-16;/h2-5,12H,6-11,13H2,1H3;1H

SMILES Code: CC(N1CCN(CCOCC2=NN(C3=CC=C(F)C(F)=C3)C=C2)CC1)=O.[H]Cl


Technical Data

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:
>2 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


References

1: Díaz JL, García M, Torrens A, Caamaño AM, Enjo J, Sicre C, Lorente A, Port A, Montero A, Yeste S, Álvarez I, Martín M, Maldonado R, de laPuente B, Vidal- Torres A, Cendán CM, Vela JM, Almansa C. EST64454: a Highly Soluble σ1 Receptor Antagonist Clinical Candidate for Pain Management. J Med Chem. 2020 Dec 10;63(23):14979-14988. doi: 10.1021/acs.jmedchem.0c01575. Epub 2020 Nov 25. PMID: 33237785.

2: Yeste S, Reinoso RF, Ayet E, Pretel MJ, Balada A, Serafini MT. Preliminary in Vitro Assessment of the Potential of EST64454, a Sigma-1 Receptor Antagonist, for Pharmacokinetic Drug-Drug Interactions. Biol Pharm Bull. 2020;43(1):68-76. doi: 10.1248/bpb.b19-00542. PMID: 31902934.