Octoclothepin maleate salt | CAS# 4789-68-8 | D2 dopamine receptor antagonist

MedKoo Cat#: 574828 | Name: Octoclothepin maleate salt

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Description:

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

Octoclothepin maleate salt is a D2 dopamine receptor antagonist and 5-HT2 serotonin receptor antagonist.

Chemical Structure

Octoclothepin maleate salt

CAS#4789-68-8

Theoretical Analysis

MedKoo Cat#: 574828

Name: Octoclothepin maleate salt

CAS#: 4789-68-8

Chemical Formula: C23H25ClN2O4S

Exact Mass: 460.1224

Molecular Weight: 460.97

Elemental Analysis: C, 59.93; H, 5.47; Cl, 7.69; N, 6.08; O, 13.88; S, 6.95

Price and Availability

Size	Price	Availability	Quantity
25mg	USD 260.00	2 Weeks

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Related CAS #

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Synonym

Octoclothepin maleate salt

IUPAC/Chemical Name

1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine maleate

InChi Key

GWKBZIADWSOIQV-BTJKTKAUSA-N

InChi Code

1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

SMILES Code

[H]\C(=C(/[H])C(O)=O)C(O)=O.CN1CCN(CC1)C2Cc3ccccc3Sc4ccc(Cl)cc24

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

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

Octoclothepin maleate salt is a D2 dopamine receptor antagonist and 5-HT2 serotonin receptor antagonist.

In vitro activity:

Two compounds identified from library screening, phenoxybenzamine and octoclothepin, also inhibited the in vitro ATPase activity of ParA from M. tuberculosis. Structural in silico analyses predict that phenoxybenzamine and octoclothepin undergo interactions compatible with the active site of ParA. Octoclothepin exhibited significant bacteriostatic activity towards M. tuberculosis. Reference: J Antimicrob Chemother. 2010 Nov;65(11):2347-58. https://pubmed.ncbi.nlm.nih.gov/20810423/

In vivo activity:

Octoclothepin possesses high cataleptogenic and anti-apomorphine activities in rats; it is able to exert full protection against apomorphine-induced emesis in dogs after the dose of 0.1 mg kg-1 s.c. Octoclothepin reduces some actions and toxicity of d,l-amphetamine and phenmetrazine in rodents. In the rat corpus striatum, octoclothepin in doses of 0.5 and d1.5 mg kg-1 s.c. reduces the DA level and raises the HVA and DOPAC levels significantly. Reference: Acta Biol Med Ger. 1980;39(6):723-40. https://pubmed.ncbi.nlm.nih.gov/6893891/

Preparing Stock Solutions

The following data is based on the product molecular weight 460.97 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. Nisa S, Blokpoel MC, Robertson BD, Tyndall JD, Lun S, Bishai WR, O'Toole R. Targeting the chromosome partitioning protein ParA in tuberculosis drug discovery. J Antimicrob Chemother. 2010 Nov;65(11):2347-58. doi: 10.1093/jac/dkq311. Epub 2010 Sep 1. PMID: 20810423; PMCID: PMC2980951. 2. Metysová J, Metys J, Dlabac A, Kazdová E, Valchár M. Pharmacological properties of a potent neuroleptic drug octoclothepin. Acta Biol Med Ger. 1980;39(6):723-40. PMID: 6893891.

In vitro protocol:

In vivo protocol:

1. Metysová J, Metys J, Dlabac A, Kazdová E, Valchár M. Pharmacological properties of a potent neuroleptic drug octoclothepin. Acta Biol Med Ger. 1980;39(6):723-40. PMID: 6893891.