Basic information
- CAS
102392-05-2- Standard SMILES
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1- InChIKey
SJDOMIRMMUGQQK-UHFFFAOYSA-N- Molecular formula
- C23H27N3O3
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.20524172
Overview
NAN 190 is an N-alkylpiperazine that consists of (2-methoxyphenyl)piperazine in which the amine hydrogen is substituted by a 4-(2-phthalimido)butyl group. It has a role as a serotonergic antagonist. It is a N-alkylpiperazine, a N-arylpiperazine and a member of phthalimides. It is a conjugate base of a NAN 190(1+).
Names & identifiers
- Preferred name
- Nan 190
- IUPAC
- 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
- English name
- 1H-Isoindole-1,3(2H)-dione, 2-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-
- Molecular formula
- C23H27N3O3
- Molecular weight
- 393.48
Names & synonyms
Nan 190NAN190DTXSID3043813CHEBI:641312-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1H-isoindole-1,3(2H)-dione2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-isoindole-1,3(2H)-dioneRefChem:164498DTXCID1023813NAN-190102392-05-22-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)isoindoline-1,3-dione
Show more names
N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-phthaliMide
CHEMBL8618LQE19CTV541H-Isoindole-1,3(2H)-dione, 2-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-1-(2-methoxyphenyl)-4-(4-phthalimidobutyl)piperazine4-(2-Methoxyphenyl)-1-(4-(N-phthalimido)butyl)piperazine2-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)isoindole-1,3-dione2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-isoindole-1,3-dione
Database identifiers
- CAS
102392-05-2- PubChem CID
- 4431
- DTXSID
DTXSID3043813- ChEMBL
CHEMBL8618- ChEBI
CHEBI:64131- UNII
- LQE19CTV54
- Nikkaji
- J347.045H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 552
Physicochemical properties
- Melting point
- 68 · 68-70 °C
- Boiling point
- 560.8 · 560.8±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 7.89 · 7.89±0.10(Predicted)
- FDA UNII
- 19 CTV54 · LQE19CTV54
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Applications
UsesNAN-190 is a serotonin receptor 5-HT antagonist. NAN-190 is a selective antagonist of 5-HT1A. Target: 5-HT in vitro: NAN-190 is a 5-HT1A antagonist. [3] NAN-190 is a selective antagonist of 5-HT1A. [1] in vivo: NAN-190 (0.5 mg/kg, ip), as a 5-HT1A receptor antagonist, is injected concomitantly with the effective dose of fluoxetine. NAN-190 (5-HT1A receptor antagonist) reverses the catalepsy-improving effect of fluoxetine in 6-OHDA lesioned rats. [2]
Suppliers8 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海眷开生物医药有限公司15052267297
上海碧咸医药科技有限公司13816613772 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Additional notes
DefinitionChEBI: NAN 190 is an N-alkylpiperazine that consists of (2-methoxyphenyl)piperazine in which the amine hydrogen is substituted by a 4-(2-phthalimido)butyl group. It has a role as a serotonergic antagonist. It is a N-alkylpiperazine, a N-arylpiperazine and a member of phthalimides. It is a conjugate base of a NAN 190(1+).
Related reactions
2 records
Compound notes
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