Ipsapirone

CAT: 0804-HY-19686-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No

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CAT#:0804-HY-19686-02Size:10 mM - 1 mL

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Description

Ipsapirone (TVX Q 7821) is an anxiolytic compound and a 5-HT1A receptor partial agonist. Ipsapirone (TVX Q 7821) also exhibits 5-HT1A receptor antagonistic effect, and only at high doses it can also produce an inhibitory effect on 5-HT2 and the α1-adrenergic function[1][2].

CAS Number

95847-70-4

Product Name Alternative

TVX Q 7821 (free base)

UNSPSC

12352005

Target

5-HT Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/ipsapirone.html

Concentration

10mM

Purity

99.87

Solubility

DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

O=C(C1=C2C=CC=C1)N(CCCCN3CCN(C4=NC=CC=N4)CC3)S2(=O)=O

Molecular Formula

C19H23N5O3S

Molecular Weight

401.49

References & Citations

[1]J Maj, et al. Central action of ipsapirone, a new anxiolytic drug, on serotoninergic, noradrenergic and dopaminergic functions. J Neural Transm. 1987;70 (1-2) :1-17.|[2]Stephen M. Stahl, et al. Effectiveness of ipsapirone, a 5-HT-1A partial agonist, in major depressive disorder: support for the role of 5-HT-1A receptors in the mechanism of action of serotonergic antidepressants. Int J Neuropsychopharmacol. 1998 Jul;1 (1) :11-18.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

5-HT1 Receptor; mLAG-3

Chemical Information

Ipsapirone

1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2-benzothiazol-3-one is a N-arylpiperazine.

CAS Number	95847-70-4
PubChem CID	56971
IUPAC Name	1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
Molecular Formula	C19H23N5O3S
Molecular Weight	401.5
XLogP	1.5
Topological Polar Surface Area	95.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	638

SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2

InChIKey

TZJUVVIWVWFLCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 95847-70-4

CID: 56971

Formula: C19H23N5O3S

MW: 401.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	401.5
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	401.15216079
Monoisotopic Mass	401.15216079
Topological Polar Surface Area	95.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	638
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
452452-01	Ipsapirone
T27623-01	Ipsapirone hydrochloride

Ipsapirone

Chemical Information

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