MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 530138 | Name: E-5842 (Citrate)

Description:

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

E-5842 (Citrate) is an opioid receptor agonist potentially for the treatment of psychotic disorders

Chemical Structure

E-5842 (Citrate)
E-5842 (Citrate)
CAS#220120-14-9

Theoretical Analysis

MedKoo Cat#: 530138

Name: E-5842 (Citrate)

CAS#: 220120-14-9

Chemical Formula: C23H29FN4O7

Exact Mass: 492.2000

Molecular Weight: 492.50

Elemental Analysis: C, 56.09; H, 5.94; F, 3.86; N, 11.38; O, 22.74

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
E-5842; E 5842; E5842
IUPAC/Chemical Name
1-(4-(1H-1,2,4-triazol-1-yl)butyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine 2-hydroxypropane-1,2,3-tricarboxylate
InChi Key
LTBKOSQVBVYJKW-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H21FN4.C6H8O7/c18-17-5-3-15(4-6-17)16-7-11-21(12-8-16)9-1-2-10-22-14-19-13-20-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,13-14H,1-2,8-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES Code
FC1=CC=C(C2=CCN(CCCCN3N=CN=C3)CC2)C=C1.O=C(CC(C(O)=O)(O)CC(O)=O)O
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
More Info
177945-17-9 (E-5842 Free Base) 220120-14-9(E-5842 Citrate )

Preparing Stock Solutions

The following data is based on the product molecular weight 492.50 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.

Recalculate based on batch purity %
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: Guzmán A, Marín AP, García C, Fernández de Henestrosa AR, Ruiz MT, Tortajada A, Marcos R. Induction of hypothermic conditions associated with increased micronuclei formation in sigma-1 receptor knockout mice after administration of the antipsychotic compound E-5842. Environ Mol Mutagen. 2008 Dec;49(9):727-33. doi: 10.1002/em.20428. PubMed PMID: 18800345. 2: Guzmán A, García C, Fernández de Henestrosa AR, Riley S, Ruiz MT, Marín AP, Tortajada A. Assessment of the genotoxic potential of the antipsychotic sigma receptor ligand E-5842. Mutat Res. 2006 Jun 16;605(1-2):63-77. PubMed PMID: 16677850. 3: Guzmán A, García C, Marín AP, Ruiz MT, Tortajada A, Fernández de Henestrosa AR. Induction of micronuclei in mouse bone-marrow erythrocytes in association with hypothermia after administration of the sigma receptor ligand E-5842. Mutat Res. 2004 Dec 31;565(1):11-22. PubMed PMID: 15576235. 4: Romero G, Pérez MP, Carceller A, Monroy X, Farré AJ, Guitart X. Changes in phosphoinositide signalling activity and levels of the alpha subunit of G(q/11) protein in rat brain induced by E-5842, a sigma(1) receptor ligand and potential atypical antipsychotic. Neurosci Lett. 2000 Sep 1;290(3):189-92. PubMed PMID: 10963895. 5: Ovalle S, Andreu F, Pérez MP, Zamanillo D, Guitart X. Effect of the novel sigma1 receptor ligand and putative atypical antipsychotic E-5842 on BDNF mRNA expression in the rat brain. Neuroreport. 2002 Dec 3;13(17):2345-8. PubMed PMID: 12488824. 6: Ovalle S, Zamanillo D, Andreu F, Farré AJ, Guitart X. Fibroblast growth factor-2 is selectively modulated in the rat brain by E-5842, a preferential sigma-1 receptor ligand and putative atypical antipsychotic. Eur J Neurosci. 2001 Mar;13(5):909-15. PubMed PMID: 11264663. 7: Beckett S. E-5842 (Laboratories Dr Esteve). IDrugs. 2000 Jun;3(6):666-8. PubMed PMID: 16096930. 8: Sánchez-Arroyos R, Guitart X. Electrophysiological effects of E-5842, a sigma1 receptor ligand and potential atypical antipsychotic, on A9 and A10 dopamine neurons. Eur J Pharmacol. 1999 Jul 28;378(1):31-7. PubMed PMID: 10478562. 9: Guitart X, Farré AJ. The effect of E-5842, a sigma receptor ligand and potential atypical antipsychotic, on Fos expression in rat forebrain. Eur J Pharmacol. 1998 Dec 18;363(2-3):127-30. PubMed PMID: 9881578. 10: Guzmán A, García C, Marín AP, Tortajada A, Ruiz MT, Fernández de Henestrosa AR, Marcos R. Formation of micronucleated erythrocytes in mouse bone-marrow under conditions of hypothermia is not associated with stimulation of erythropoiesis. Mutat Res. 2008 Oct 30;656(1-2):8-13. doi: 10.1016/j.mrgentox.2008.06.016. PubMed PMID: 18718553. 11: Monroy X, Romero G, Pérez MP, Farré AJ, Guitart X. Decrease of adenylyl cyclase activity and expression by a sigma1 receptor ligand and putative atypical antipsychotic. Neuroreport. 2001 Jul 3;12(9):1989-92. PubMed PMID: 11435935. 12: Guitart X, Méndez R, Ovalle S, Andreu F, Carceller A, Farré AJ, Zamanillo D. Regulation of ionotropic glutamate receptor subunits in different rat brain areas by a preferential sigma(1) receptor ligand and potential atypical antipsychotic. Neuropsychopharmacology. 2000 Nov;23(5):539-46. PubMed PMID: 11027919. 13: Guzmán A, García C, Marín AP, Proudlock RJ, Fernández de Henestrosa AR, Ruiz MT, Tortajada A, Lloyd M, Marcos R. Evaluation of the genotoxic potential of three phenyltetrahydropyridinyl butylazole-derived sigma-receptor ligand drug candidates. Mutat Res. 2008 May 31;653(1-2):91-8. doi: 10.1016/j.mrgentox.2008.03.011. PubMed PMID: 18502168. 14: Zamanillo D, Andreu F, Ovalle S, Pérez MP, Romero G, Farré AJ, Guitart X. Up-regulation of sigma(1) receptor mRNA in rat brain by a putative atypical antipsychotic and sigma receptor ligand. Neurosci Lett. 2000 Mar 24;282(3):169-72. PubMed PMID: 10717418. 15: Tweats DJ, Blakey D, Heflich RH, Jacobs A, Jacobsen SD, Morita T, Nohmi T, O'Donovan MR, Sasaki YF, Sofuni T, Tice R; IWGT Working Group.. Report of the IWGT working group on strategies and interpretation of regulatory in vivo tests I. Increases in micronucleated bone marrow cells in rodents that do not indicate genotoxic hazards. Mutat Res. 2007 Feb 3;627(1):78-91. PubMed PMID: 17116417.

View History

E913

E913

Yellamycin A

Yellamycin A

NS-062

NS-062