ISAMOLTAN HYDROCHLORIDE

Investigational

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

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

Description

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	Antagonist 2,778		40.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Anxiety 267	Primary		Phase III 656	Unknown

Sourcing

Sourcing

Show entries

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

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PubMed

Title	Date	PubMed
No data available in table

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.

Show entries

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

Showing 1 to 4 of 4 entries

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Show entries

Code System

Code

Type

Description

CAS

55050-96-9

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

127403

PRIMARY

FDA UNII

214SP5P1EX

PRIMARY

EPA CompTox

DTXSID00912513

PRIMARY

CAS

99740-06-4

PRIMARY

Showing 1 to 5 of 6 entries

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PARENT (SALT/SOLVATE)


					2TP37O5J17

ISAMOLTAN

SUBSTANCE RECORD


					214SP5P1EX

ISAMOLTAN HYDROCHLORIDE