MedKoo Cat#: 121036 | Name: ACT-660602
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Description:

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

ACT-660602 is a Potent and Selective Antagonist of the Chemokine Receptor CXCR3 for Autoimmune Diseases. ACT-660602 led to significantly reduced recruitment of the CXCR3+ CD8+ T cell in the bronchoalveolar lavage compartment when administered orally at a dose of 30 mg/kg.

Chemical Structure

ACT-660602
ACT-660602
CAS#1646267-59-5

Theoretical Analysis

MedKoo Cat#: 121036

Name: ACT-660602

CAS#: 1646267-59-5

Chemical Formula: C20H20F6N8OS

Exact Mass: 534.1385

Molecular Weight: 534.49

Elemental Analysis: C, 44.94; H, 3.77; F, 21.33; N, 20.97; O, 2.99; S, 6.00

Price and Availability

Size Price Availability Quantity
5mg USD 750.00 2 Weeks
10mg USD 1,250.00 2 Weeks
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Related CAS #
No Data
Synonym
ACT-660602; ACT660602; ACT 660602
IUPAC/Chemical Name
(R)-2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-1-(2-methyl-4-(2-(trifluoromethyl)-4-(2-(trifluoromethyl)pyrimidin-5-yl)thiazol-5-yl)piperazin-1-yl)ethan-1-one
InChi Key
JENUMEXEVAAAJX-SNVBAGLBSA-N
InChi Code
InChI=1S/C20H20F6N8OS/c1-10-8-32(4-5-33(10)14(35)9-34-12(3)29-11(2)31-34)16-15(30-18(36-16)20(24,25)26)13-6-27-17(28-7-13)19(21,22)23/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m1/s1
SMILES Code
O=C(CN1N=C(C)N=C1C)N2[C@H](C)CN(C3=C(C4=CN=C(C(F)(F)F)N=C4)N=C(C(F)(F)F)S3)CC2
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 534.49 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, Äänismaa P, Froidevaux S, Keller M, Piali L, Caroff E. Discovery and In Vivo Evaluation of ACT-660602: A Potent and Selective Antagonist of the Chemokine Receptor CXCR3 for Autoimmune Diseases. J Med Chem. 2022 Sep 8;65(17):11513-11532. doi: 10.1021/acs.jmedchem.2c00675. Epub 2022 Aug 10. PMID: 35947786.