CE-224535

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

MedKoo CAT#: 526811

CAS#: 724424-43-5

Description: CE-224535 is a P2X7 receptor antagonist potentially for the treatment of rheumatoid arthritis and osteoarthritis. Clinical trials in 2012 showed that CE-224,535 was not efficacious, compared with placebo, for the treatment of RA in patients with an inadequate response to MTX. CE-224,535 demonstrated an acceptable safety and tolerability profile.

Chemical Structure

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CE-224535
CAS# 724424-43-5
Instruction

Theoretical Analysis

MedKoo Cat#: 526811
Name: CE-224535
CAS#: 724424-43-5
Chemical Formula: C23H30ClN3O6
Exact Mass: 479.18
Molecular Weight: 479.958
Elemental Analysis: C, 57.56; H, 6.30; Cl, 7.39; N, 8.76; O, 20.00

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: CE-224535; CE 224535; CE224535; CE-224,535; CE 224,535; CE224,535.

IUPAC/Chemical Name: 2-(4-Chloro-3-(3-(1-hydroxycycloheptyl)propanoyl)phenyl)-4-((2R)-2-hydroxy-3-methoxy-propyl)-1,2,4-triazine-3,5-dione

InChi Key: IRTORRLRMYAEAR-QGZVFWFLSA-N

InChi Code: InChI=1S/C23H30ClN3O6/c1-33-15-17(28)14-26-21(30)13-25-27(22(26)31)16-6-7-19(24)18(12-16)20(29)8-11-23(32)9-4-2-3-5-10-23/h6-7,12-13,17,28,32H,2-5,8-11,14-15H2,1H3/t17-/m1/s1

SMILES Code: O=C(N1C[C@@H](O)COC)N(C2=CC=C(Cl)C(C(CCC3(O)CCCCCC3)=O)=C2)N=CC1=O

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 479.96 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:
In vitro protocol:
In vivo protocol:

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1: Stock TC, Bloom BJ, Wei N, Ishaq S, Park W, Wang X, Gupta P, Mebus CA.
Efficacy and safety of CE-224,535, an antagonist of P2X7 receptor, in treatment
of patients with rheumatoid arthritis inadequately controlled by methotrexate. J
Rheumatol. 2012 Apr;39(4):720-7. doi: 10.3899/jrheum.110874. Epub 2012 Mar 1.
PubMed PMID: 22382341.


2: Duplantier AJ, Dombroski MA, Subramanyam C, Beaulieu AM, Chang SP, Gabel CA,
Jordan C, Kalgutkar AS, Kraus KG, Labasi JM, Mussari C, Perregaux DG, Shepard R,
Taylor TJ, Trevena KA, Whitney-Pickett C, Yoon K. Optimization of the
physicochemical and pharmacokinetic attributes in a 6-azauracil series of P2X7
receptor antagonists leading to the discovery of the clinical candidate
CE-224,535. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3708-11. doi:
10.1016/j.bmcl.2011.04.077. Epub 2011 Apr 24. PubMed PMID: 21565499.