MedKoo Cat#: 121050 | Name: ACT-672125

Description:

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

ACT-672125 is a Potent CXCR3 Antagonist with Therapeutic Potential in Autoimmune Diseases. ACT-672125 showed good physicochemical properties and safety profile. In a proof-of-mechanism model of lung inflammation, ACT-672125 inhibited the recruitment of CXCR3 expressing T cells into the inflamed lung in a dose-dependent manner.

Chemical Structure

ACT-672125
CAS#1449367-94-5

Theoretical Analysis

MedKoo Cat#: 121050

Name: ACT-672125

CAS#: 1449367-94-5

Chemical Formula: C25H25F3N10O2S

Exact Mass: 586.1835

Molecular Weight: 586.60

Elemental Analysis: C, 51.19; H, 4.30; F, 9.72; N, 23.88; O, 5.45; S, 5.47

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
ACT-672125; ACT672125; ACT 672125
IUPAC/Chemical Name
(R)-2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-1-(2-methyl-4-(4-(6-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-benzo[d]imidazol-2-yl)-2-(trifluoromethyl)thiazol-5-yl)piperazin-1-yl)ethan-1-one
InChi Key
SXYUBRILLHMIAQ-GFCCVEGCSA-N
InChi Code
InChI=1S/C25H25F3N10O2S/c1-12-10-36(7-8-37(12)19(39)11-38-14(3)29-13(2)34-38)23-20(33-24(41-23)25(26,27)28)22-31-17-6-5-16(9-18(17)32-22)21-30-15(4)40-35-21/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,31,32)/t12-/m1/s1
SMILES Code
FC(F)(F)C1=NC(C2=NC3=CC=C(C4=NOC(C)=N4)C=C3N2)=C(N5CCN(C(CN6C(C)=NC(C)=N6)=O)[C@H](C)C5)S1
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 586.60 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
Caroff E, Meyer EA, Äänismaa P, Froidevaux S, Keller M, Piali L. Design, Synthesis, and Pharmacological Evaluation of Benzimidazolo-thiazoles as Potent CXCR3 Antagonists with Therapeutic Potential in Autoimmune Diseases: Discovery of ACT-672125. J Med Chem. 2022 Sep 8;65(17):11533-11549. doi: 10.1021/acs.jmedchem.2c00676. Epub 2022 Aug 15. PMID: 35969159.