LY266097 (hydrochloride)

CAT: 0804-HY-103094-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-103094-01Size:5 mg

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Description

LY266097 hydrochloride is a selective 5-HT2B receptor antagonist with pKis of 7.7, 9.8, and 7.6 for 5-HT2A, 5-HT2B, 5-HT2C, respectively. 5-HT2B receptor blockade contributes to the research in depression[1].

CAS Number

172895-39-5

UNSPSC

12352005

Hazard Statement

H319

Target

5-HT Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/ly266097-hydrochloride.html

Purity

99.60

Solubility

DMSO : 62.5 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

CC1=CC2=C(NC3=C2CCNC3CC4=CC=C(OC)C(OC)=C4Cl)C=C1.[H]Cl

Molecular Formula

C21H24Cl2N2O2

Molecular Weight

407.33

Precautions

H319

References & Citations

[1]Rami Hamati, et al. Serotonin-2B receptor antagonism increases the activity of dopamine and glutamate neurons in the presence of selective serotonin reuptake inhibition. Neuropsychopharmacology. 2020 Nov;45 (12) :2098-2105.|[2]Luc Maroteaux, et al. New therapeutic opportunities for 5-HT 2 receptor ligands. Pharmacol Ther. 2017 Feb;170:14-36.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture and light)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

5-HT2 Receptor; α-1 microglobulin

Chemical Information

LY 266097 hydrochloride

CAS Number	172895-39-5
PubChem CID	9953184
IUPAC Name	1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Molecular Formula	C21H24Cl2N2O2
Molecular Weight	407.3
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	479

SMILES

CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=C(C(=C(C=C4)OC)OC)Cl.Cl

InChI

InChI=1S/C21H23ClN2O2.ClH/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22;/h4-7,10,17,23-24H,8-9,11H2,1-3H3;1H

InChIKey

KPXKZZURYAXZQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 172895-39-5

CID: 9953184

Formula: C21H24Cl2N2O2

MW: 407.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	407.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	406.1214834
Monoisotopic Mass	406.1214834
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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