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MedKoo Cat#: 464027 | Name: ITH15004
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

ITH15004 is a non-nucleotide antagonist of the purinergic P2X7 receptor. It inhibits ATP-induced currents in X. laevis oocytes expressing the human P2X7 receptor when used at a concentration of 100 µM. ITH15004 (1 µM) decreases IL-1β release from LPS-primed, ATP-stimulated isolated mouse peritoneal macrophages. It has high permeability in a parallel artificial membrane permeability assay (PAMPA).

Chemical Structure

ITH15004
ITH15004
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464027

Name: ITH15004

CAS#: unknown

Chemical Formula: C13H7Cl3N4O

Exact Mass: 339.9685

Molecular Weight: 341.58

Elemental Analysis: C, 45.71; H, 2.07; Cl, 31.14; N, 16.40; O, 4.68

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 650.00 2 Weeks
25mg USD 1,250.00 2 Weeks
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Related CAS #
No Data
Synonym
ITH15004; ITH 15004; ITH-15004;
IUPAC/Chemical Name
2-(6-chloro-9H-purin-9-yl)-1-(2,4-dichlorophenyl)ethan-1-one
InChi Key
NLRGSGVPLHCTPK-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H7Cl3N4O/c14-7-1-2-8(9(15)3-7)10(21)4-20-6-19-11-12(16)17-5-18-13(11)20/h1-3,5-6H,4H2
SMILES Code
O=C(C1=CC=C(Cl)C=C1Cl)CN2C=NC3=C(Cl)N=CN=C23
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
A P2X7 receptor antagonist.
In vitro activity:
A progressive augmentation of secretion occurred. These responses decayed upon washout of both CRT and ITH15004. In summary, facilitation of secretion by ITH15004 was still present in CCs with their ER Ca2+ store depleted and non-functional. Reference: Int J Mol Sci. 2021 Dec 31;23(1):440. https://pubmed.ncbi.nlm.nih.gov/35008868/
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 100.00
DMF 20.0 58.55
DMF:PBS (pH 7.2) (1:3) 0.3 0.73
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 341.58 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. de Pascual R, Calzaferri F, Gonzalo PC, Serrano-Nieto R, de Los Ríos C, García AG, Gandía L. Novel Purine Derivative ITH15004 Facilitates Exocytosis through a Mitochondrial Calcium-Mediated Mechanism. Int J Mol Sci. 2021 Dec 31;23(1):440. doi: 10.3390/ijms23010440. PMID: 35008868; PMCID: PMC8745631.
In vitro protocol:
1. de Pascual R, Calzaferri F, Gonzalo PC, Serrano-Nieto R, de Los Ríos C, García AG, Gandía L. Novel Purine Derivative ITH15004 Facilitates Exocytosis through a Mitochondrial Calcium-Mediated Mechanism. Int J Mol Sci. 2021 Dec 31;23(1):440. doi: 10.3390/ijms23010440. PMID: 35008868; PMCID: PMC8745631.
In vivo protocol:
TBD
1: Calzaferri F, Narros-Fernández P, de Pascual R, de Diego AMG, Nicke A, Egea J, García AG, de Los Ríos C. Synthesis and Pharmacological Evaluation of Novel Non-nucleotide Purine Derivatives as P2X7 Antagonists for the Treatment of Neuroinflammation. J Med Chem. 2021 Feb 9. doi: 10.1021/acs.jmedchem.0c02145. Epub ahead of print. PMID: 33560845.