ARN-6039

CAT: 0931-T25109-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T25109-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1675206-11-7

Target

Others, ROR

Related Pathways

Metabolism, Others

Bioactivity

ARN-6039, an orally available inverse agonist of RORγ, targets Autoimmune Neuroinflammatory Demyelinating Disease. Its efficacy was demonstrated in a RORγ-activated IL-17A Prom/LUCPorter assay in HEK 293 cells (360 nM) and in IL-17 release from CD4+T cell assays (220 nM) .

Smiles

COc1cc2C(=O)C(Cc3ncccc3C(F)(F)F)Cc2cc1N1CCOCC1

Molecular Formula

C21H21F3N2O3

Molecular Weight

406.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

6-methoxy-5-morpholino-2-((3-(trifluoromethyl)pyridin-2-yl)methyl)-2,3-dihydro-1H-inden-1-one

CAS Number	1675206-11-7
PubChem CID	117940165
IUPAC Name	6-methoxy-5-morpholin-4-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
Molecular Formula	C21H21F3N2O3
Molecular Weight	406.4
XLogP	3.2
Topological Polar Surface Area	51.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	582

SMILES

COC1=C(C=C2CC(C(=O)C2=C1)CC3=C(C=CC=N3)C(F)(F)F)N4CCOCC4

InChI

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

InChIKey

CQSDLVKTQRLMJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1675206-11-7

CID: 117940165

Formula: C21H21F3N2O3

MW: 406.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	406.4
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	406.15042702
Monoisotopic Mass	406.15042702
Topological Polar Surface Area	51.7 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	582
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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