Octoclothepin maleate salt
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MedKoo CAT#: 574828

CAS#: 4789-68-8

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

Chemical Structure

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Octoclothepin maleate salt
CAS# 4789-68-8
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 574828
Name: Octoclothepin maleate salt
CAS#: 4789-68-8
Chemical Formula: C23H25ClN2O4S
Exact Mass: 460.12
Molecular Weight: 460.973
Elemental Analysis: C, 59.93; H, 5.47; Cl, 7.69; N, 6.08; O, 13.88; S, 6.95

Price and Availability

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25mg USD 260 2 Weeks
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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:
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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.

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
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: 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.
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.

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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.