MedKoo Cat#: 206870 | Name: ARN-6039

Description:

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

ARN-6039 (being developed by Arrien), is a Potent, Orally Available Inverse Agonist of RORgammat for Autoimmune Neuroinflammatory Demyelinating Disease. The activity of ARN-6039 against RORt was demonstrated in a RORt-activated IL-17A Prom/LUCPorter assay in HEK 293 cells (360 nM) and in IL-17 release from CD4+T cell assays (220 nM). The compound also possesses ideal CNS drug-like criteria, exhibited excellent pharmacokinetics (%F: 37), pharmacodynamics, and correlative PK/PD and ADME characteristics.

Chemical Structure

ARN-6039
CAS#1675206-11-7

Theoretical Analysis

MedKoo Cat#: 206870

Name: ARN-6039

CAS#: 1675206-11-7

Chemical Formula: C21H21F3N2O3

Exact Mass: 406.1504

Molecular Weight: 406.41

Elemental Analysis: C, 62.06; H, 5.21; F, 14.02; N, 6.89; O, 11.81

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
ARN-6039; ARN 6039; ARN6039;
IUPAC/Chemical Name
6-methoxy-5-morpholino-2-((3-(trifluoromethyl)pyridin-2-yl)methyl)-2,3-dihydro-1H-inden-1-one
InChi Key
CQSDLVKTQRLMJB-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H21F3N2O3/c1-28-19-12-15-13(11-18(19)26-5-7-29-8-6-26)9-14(20(15)27)10-17-16(21(22,23)24)3-2-4-25-17/h2-4,11-12,14H,5-10H2,1H3
SMILES Code
COC1=C(N2CCOCC2)C=C(CC(CC3=NC=CC=C3C(F)(F)F)C4=O)C4=C1
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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 406.41 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