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AGN 195183 5mg

CAT: 0628-A16293-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A16293-5Size:5 mg
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CAS Number
367273-07-2

Chemical Information

Irx-5183

RARalpha Agonist IRX5183 is an orally bioavailable retinoid acid receptor alpha (RARalpha) agonist and vitamin A derivative, with potential antineoplastic activity. Upon administration, RARalpha agonist IRX5183 binds to and activates RARalpha, which promotes RARalpha-mediated signaling. This results in the transcription of RARalpha-responsive genes, which are responsible for cellular differentiation and proliferation. This results in the induction of cellular differentiation and apoptosis, and leads to the inhibition of cellular proliferation and tumorigenesis. RARalpha is a nuclear receptor and a member of the steroid receptor superfamily; reduced RARalpha signaling is correlated with cancer development in a variety of cancer cell types.

CAS Number367273-07-2
PubChem CID9867758
IUPAC Name4-[(4-chloro-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]-2,6-difluorobenzoic acid
Molecular FormulaC22H22ClF2NO4
Molecular Weight437.9
XLogP6.4
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity676
SMILES
CC1(CCC(C2=C1C=C(C(=C2Cl)O)C(=O)NC3=CC(=C(C(=C3)F)C(=O)O)F)(C)C)C
InChI
InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
InChIKey
PNAWUIKCVQSLFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Irx-5183
CAS: 367273-07-2
CID: 9867758
Formula: C22H22ClF2NO4
MW: 437.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.9
XLogP36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass437.1205422
Monoisotopic Mass437.1205422
Topological Polar Surface Area86.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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