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Merck
CN

A9736

A-438079 hydrochloride hydrate

≥98% (HPLC), P2X7 purinoceptor antagonist, powder

Synonym(s):

3-(5-(2,3-dichlorophenyl)-1H-tetrazol-1-yl)methyl pyridine hydrochloride hydrate

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About This Item

Empirical Formula (Hill Notation):
C13H9Cl2N5·HCl · xH2O
CAS Number:
899431-18-6
Molecular Weight:
342.61 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
329771058
NACRES:
NA.77
MDL number:
MFCD17215929
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
100
Storage condition:
desiccated

Key Documents

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Product Name

A-438079 hydrochloride hydrate, ≥98% (HPLC)

SMILES string

O.Cl.Clc1cccc(c1Cl)-c2nnnn2Cc3cccnc3

InChI key

ZHFJJBAKSROKNO-UHFFFAOYSA-N

InChI

1S/C13H9Cl2N5.ClH.H2O/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9;;/h1-7H,8H2;1H;1H2

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 20 mg/mL, clear

originator

Abbott

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

A-438079 hydrochloride hydrate has been used to determine its inhibitory effect on purinergic receptors. It has also been used to check its inhibitory effects on macrophages.

Biochem/physiol Actions

A-438079 hydrochloride hydrate is a selective P2X7 purinoceptor antagonist
A-438079 hydrochloride hydrate is a selective P2X7 purinoceptor antagonist in both human and rat with minimal activity at 75 different G-protein-coupled receptors, enzymes, transporters, and ion channels tested.

Features and Benefits

This compound was developed by Abbott. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000505321
0000505320
0000505321
0000505320
0000416258

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Resident macrophages cloak tissue microlesions to prevent neutrophil-driven inflammatory damage
Uderhardt S, et al.
Cell, 177(3), 541-555 (2019)
Altered purinergic signaling in uridine adenosine tetraphosphate-induced coronary relaxation in swine with metabolic derangement
Zhou Z, et al.
Purinergic Signaling, 13(3), 319-329 (2017)
Kelaier Yang et al.
Frontiers in pharmacology, 11, 603689-603689 (2021-02-16)
Introduction: P2X7R excitation-interrelated NLRP3 inflammasome activation induced by high glucose contributes to the pathogenesis of diabetic retinopathy (DR). Relaxin-3 is a bioactive peptide with a structure similar to insulin, which has been reported to be effective in diabetic cardiomyopathy models
Haiyan Wang et al.
Journal of inflammation research, 13, 571-582 (2020-10-17)
Long-term use of morphine induces antinociceptive tolerance and limits its clinical efficacy. Neuroinflammation in the spinal cord is thought to play a pivotal role in the development of morphine tolerance. Toll-like receptor 4 (TLR4) and P2X7 receptor (P2X7R) are key

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