MedKoo Cat#: 414175 | Name: EXP-561 monohydrate

Description:

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

EXP-561 monohydrate is an investigational drug that acts as an inhibitor of the reuptake of serotonin, dopamine, and norepinephrine.

Chemical Structure

EXP-561 monohydrate
EXP-561 monohydrate
CAS#16142-83-9 (monohydrate)

Theoretical Analysis

MedKoo Cat#: 414175

Name: EXP-561 monohydrate

CAS#: 16142-83-9 (monohydrate)

Chemical Formula: C14H22ClNO

Exact Mass:

Molecular Weight: 255.79

Elemental Analysis: C, 65.74; H, 8.67; Cl, 13.86; N, 5.48; O, 6.25

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.
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Synonym
EXP-561 monohydrate
IUPAC/Chemical Name
4-Phenylbicyclo(2.2.2)octan-1-amine hydrochloride monohydrate
InChi Key
NLXFYKZUFJZKCP-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H19N.ClH.H2O/c15-14-9-6-13(7-10-14,8-11-14)12-4-2-1-3-5-12;;/h1-5H,6-11,15H2;1H;1H2
SMILES Code
NC1(CC2)CCC2(C3=CC=CC=C3)CC1.[H]Cl.[H]O[H]
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 255.79 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: Maj J, Skuza G, Sowińska H, Nowak G. Pharmacological properties of EXP 561, a potential antidepressant drug. J Neural Transm. 1987;70(1-2):81-97. doi: 10.1007/BF01252511. PMID: 2822850. 2: Fuller RW, Snoddy HD. Effects of pre- and post-treatment with EXP 561 on the amine-depleting effects of p-chloroamphetamine and 6-hydroxydopamine in rats. Res Commun Chem Pathol Pharmacol. 1978 Sep;21(3):457-65. PMID: 705024. 3: Gershon S, Hekimian LJ, Floyd A. Non-correlation of preclinical-clinical evaluation of a prosposed anti-depressant 4-phenyl-bicyclo(2,2,2)octan-1-amine hydrochloride monohydrate (EXP 561). Arzneimittelforschung. 1968 Feb;18(2):243-5. PMID: 5695389. 4: Koe BK. Molecular geometry of inhibitors of the uptake of catecholamines and serotonin in synaptosomal preparations of rat brain. J Pharmacol Exp Ther. 1976 Dec;199(3):649-61. PMID: 994022. 5: Lehmann HE, Ban TA, Debow SL. A clinical-pharmacological study with EXP 561. Curr Ther Res Clin Exp. 1967 Jun;9(6):306-8. PMID: 4963065. 6: Robertson DW, Jones ND, Swartzendruber JK, Yang KS, Wong DT. Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor. J Med Chem. 1988 Jan;31(1):185-9. doi: 10.1021/jm00396a030. PMID: 3257267. 7: Fuller RW, Robertson DW, Hemrick-Luecke SK. Comparison of the effects of two 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine analogs, 1-methyl-4-(2-thienyl)-1,2,3,6-tetrahydropyridine and 1-methyl-4-(3-thienyl)-1,2,3,6-tetrahydropyridine, on monoamine oxidase in vitro and on dopamine in mouse brain. J Pharmacol Exp Ther. 1987 Feb;240(2):415-20. PMID: 3100775. 8: Fuller RW, Hemrick-Luecke SK, Perry KW. Deprenyl antagonizes acute lethality of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine in mice. J Pharmacol Exp Ther. 1988 Nov;247(2):531-5. PMID: 3141609. 9: Fuller RW, Hemrick-Luecke SK, Robertson DW. Comparison of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) and 1-methyl-4-phenylpyridinium (MPP+) effects on mouse heart norepinephrine. Biochem Pharmacol. 1988 Sep 1;37(17):3343-7. doi: 10.1016/0006-2952(88)90648-x. PMID: 3135812. 10: Fuller RW, Snoddy HD, Molloy BB. Blockade of amine depletion by nisoxetine in comparison to other uptake inhibitors. Psychopharmacol Commun. 1975;1(5):455-64. PMID: 1228825.