MedKoo Cat#: 126961 | Name: IDOR-1117-2520

Description:

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

IDOR-1117-2520 is a selective and insurmountable antagonist of CCR6. In addition to antagonizing the CCL20-mediated calcium flow (IC50 = 63 nM), IDOR-1117-2520 inhibited β-arrestin recruitment to human CCR6 induced by the addition of CCL20 (IC50 = 30 nM). In vivo proof-of-mechanism studies in a mouse lung inflammation model using a representative compound from the chemical class of IDOR-1117-2520 confirmed that the targeted CCR6+ cells were efficiently inhibited from migrating into the bronchoalveoli.

Chemical Structure

IDOR-1117-2520
IDOR-1117-2520
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 126961

Name: IDOR-1117-2520

CAS#: N/A

Chemical Formula: C25H32N4O3

Exact Mass: 436.2474

Molecular Weight: 436.56

Elemental Analysis: C, 68.78; H, 7.39; N, 12.83; O, 10.99

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
IDOR-1117-2520; IDOR 1117-2520; IDOR1117-2520
IUPAC/Chemical Name
(R)-2-(3-(5-((1,3-dimethylazetidin-3-yl)(hydroxy)(4-isopropylphenyl)methyl)pyridin-3-yl)-1,2,4-oxadiazol-5-yl)propan-2-ol
InChi Key
RLAQKDLLSLGHQO-VWLOTQADSA-N
InChi Code
InChI=1S/C25H32N4O3/c1-16(2)17-7-9-19(10-8-17)25(31,24(5)14-29(6)15-24)20-11-18(12-26-13-20)21-27-22(32-28-21)23(3,4)30/h7-13,16,30-31H,14-15H2,1-6H3/t25-/m0/s1
SMILES Code
CC(C)(O)C1=NC(C2=CC([C@@](C3(C)CN(C)C3)(O)C4=CC=C(C(C)C)C=C4)=CN=C2)=NO1
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 436.56 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
Meyer EA, Croxford AL, Gnerre C, Kulig P, Murphy MJ, Jacob EM, Schäfer G, Richard-Bildstein S, Aissaoui H, Bouis P, Ertel EA, de Kanter R, Keller MP, Lüthi U, Caroff E. Discovery of the Clinical Candidate IDOR-1117-2520: A Potent and Selective Antagonist of CCR6 for Autoimmune Diseases. J Med Chem. 2024 May 10. doi: 10.1021/acs.jmedchem.4c00186. Epub ahead of print. PMID: 38727100.