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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19ClN4
Molecular Weight 326.823
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-11-(4-METHYL-1-PIPERAZINYL)-5H-DIBENZO(B,E)(1,4)DIAZEPINE

SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=C(Cl)C=C24

InChI

InChIKey=APOMSSAGEAOUGO-UHFFFAOYSA-N
InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H19ClN4
Molecular Weight 326.823
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including http://pubs.acs.org/doi/abs/10.1021/jm9704457 | https://www.ncbi.nlm.nih.gov/pubmed/8101877 | https://www.ncbi.nlm.nih.gov/pubmed/11561066 | https://www.ncbi.nlm.nih.gov/pubmed/9723970

ISOCLOZAPINE is typical antipsychotic that acts by blocking the receptors in the brain’s dopamine pathways. Isoclozapine has high affinities at both DA (D1 and D2) and serotonin (5-HT2A and 5-HT2C) receptors. Isoclozapine shows the greatest antipsychotic potential on inhibition of apomorphine-induced climbing in mice at quite low doses under sc or po administrations. However, Isoclozapine also produces catalepsy at low doses.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
28.0 nM [Ki]
2.9 nM [IC50]
12.0 nM [IC50]
34.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

Male rats of a Wistar-derived strain (Harlan, Zeist, The Netherlands) weighing 175-225 g were used. ISOCLOZAPINE (0.3, 1, 3, 10, 30 mkM/kg) were administered Subcutaneously 30 min before the administration of 1 mg/kg apomorphine. After administration of apomorphine, rats were transferred to an automated activity monitoring system (Automex II, Columbus, OH) and activity was measured for 30 min. Experiments were done in parallel on four different animals and per session three experimental groups and one salinetreated group were studied.
Route of Administration: Other
Incubations were carried out in 50 mM Tris-HCl buffer, pH 7.35, containing 120 mM NaCl, 5 mM MgCl2, and 1 mM EDTA. The assay contained in a total volume of 1 mL: 0.15 nM [3H]spiperone, specific radioactivity 3.6 TBq/mmol, and membranes of A9L cells expressing the human D2 dopamine receptor (40-60 íg of protein/assay). Incubations were run for 15 min at 37 °C and terminated by rapid filtration on Whatman GF/B filters and 3 washes with ice-cold 50 mM Tris-HCl buffer, pH 7.35 (without salts and EDTA). Nonspecific binding was determined in the presence of 1 mM (+)-butaclamol.
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:20:29 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:29 GMT 2023
Record UNII
4Q6V732VRT
Record Status Validated (UNII)
Record Version
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Name Type Language
2-CHLORO-11-(4-METHYL-1-PIPERAZINYL)-5H-DIBENZO(B,E)(1,4)DIAZEPINE
Systematic Name English
8-CHLORANYL-6-(4-METHYLPIPERAZIN-1-YL)-11H-BENZO(B)(1,4)BENZODIAZEPINE
Systematic Name English
5H-DIBENZO(B,E)(1,4)DIAZEPINE, 2-CHLORO-11-(4-METHYL-1-PIPERAZINYL)-
Systematic Name English
Code System Code Type Description
CAS
1977-08-8
Created by admin on Sat Dec 16 15:20:29 GMT 2023 , Edited by admin on Sat Dec 16 15:20:29 GMT 2023
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FDA UNII
4Q6V732VRT
Created by admin on Sat Dec 16 15:20:29 GMT 2023 , Edited by admin on Sat Dec 16 15:20:29 GMT 2023
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PUBCHEM
16104
Created by admin on Sat Dec 16 15:20:29 GMT 2023 , Edited by admin on Sat Dec 16 15:20:29 GMT 2023
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EPA CompTox
DTXSID40173464
Created by admin on Sat Dec 16 15:20:29 GMT 2023 , Edited by admin on Sat Dec 16 15:20:29 GMT 2023
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