ISAMOLTAN HYDROCHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H22N2O2.ClH
Molecular Weight	310.819
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(C)NCC(O)COC1=C(C=CC=C1)N2C=CC=C2

InChI

InChIKey=DCOXRJZVVPMXLY-UHFFFAOYSA-N

InChI=1S/C16H22N2O2.ClH/c1-13(2)17-11-14(19)12-20-16-8-4-3-7-15(16)18-9-5-6-10-18;/h3-10,13-14,17,19H,11-12H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H22N2O2
Molecular Weight	274.3581
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: http://adisinsight.springer.com/drugs/800000697 | https://www.ncbi.nlm.nih.gov/pubmed/2905765

Isamoltan (CGP 361A) is a β-adrenoceptor and serotonin 1B receptor antagonist. Isamoltane has reported activity as an anxiolytic in man. Isamoltan had been in phase III clinical trials for the treatment of anxiety. However, this research has been discontinued.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serotonin 1b (5-HT1b) receptor 46 Target ID: CHEMBL3459 Sources: http://adisinsight.springer.com/drugs/800000697 \| https://www.ncbi.nlm.nih.gov/pubmed/2905765	Antagonist 2778		40.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Anxiety 267 Sources: http://adisinsight.springer.com/drugs/800000697	Primary		Phase III 656	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY559992	https://www.001chemical.com/chem/55050-95-8
AAA Chemistry	AR-1I1934
ABI Chem	AC1L2RY4
ABI Chem	AC1Q77JG
BOC Sciences	55050-95-8	https://www.bocsci.com/isamoltane-hemifumarate-cas-55050-95-8-item-26946.html
ChemMol	99105071	http://www.chemmol.com/chemmol/99105071.html
ChemShuttle	113783	http://www.chemshuttle.com/catalogsearch/result/?q=55050-95-8&cat=
Chemieliva Pharmaceutical Co., Ltd	PBCM0637737
Clearsynth	CS-MM-62495	https://www.clearsynth.com/en/CSMM62495.html
Molcore	MC559992	https://www.molcore.com/product/55050-95-8
MuseChem	M018032	https://www.musechem.com/product/M018032.html
NovoSeek	127404
Smolecule	S604003	https://www.smolecule.com/products/s604003
THE BioTek	bt-402785	https://www.thebiotek.com/product/others/bt-402785

PubMed

Title	Date	PubMed
Effect of sumatriptan in different models of pain in rats.	2004 Aug 23	15306203
Neuronal expression and regulation of CGRP promoter activity following viral gene transfer into cultured trigeminal ganglia neurons.	2004 Jan 30	14715155
Evidence for serotonin receptor subtypes involvement in agmatine antidepressant like-effect in the mouse forced swimming test.	2004 Oct 15	15374751
Histamine H3 receptors inhibit serotonin release in substantia nigra pars reticulata.	2004 Oct 6	15470136

Patents

Sample Use Guides

In Vivo Use Guide

Rats: 3 mg/kg, i.p.

Route of Administration: Intraperitoneal

In Vitro Use Guide

Racemic isamoltane showed a selective interaction with the 5-HT1B receptor, having an IC50 value of approximately 40 nmol/l irrespective of whether [125I]ICYP or [3H]5-HT was used as ligand.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:26:27 UTC 2023` Edited by `admin` on `Fri Dec 15 15:26:27 UTC 2023`
Record UNII	214SP5P1EX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISAMOLTAN HYDROCHLORIDE

Common Name

English

2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(1H-PYRROL-1-YL)PHENOXY)-, HYDROCHLORIDE (1:1)

Systematic Name

English

2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(1H-PYRROL-1-YL)PHENOXY)-, MONOHYDROCHLORIDE

Common Name

English

CGP-361A

Code

English

Code System Code Type Description

CAS

55050-96-9