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Abequolixron (RGX-104)

CAT: 1568-C13592-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C13592-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
610318-03-1
Target
Liver X Receptor
Applications
Metabolism
Smiles
CC (CCOC1=CC=CC (=C1) CC (=O) O) N (CC2=C (C (=CC=C2) C (F) (F) F) Cl) CC (C3=CC=CC=C3) C4=CC=CC=C4.Cl
Molecular Formula
C34H34Cl2F3NO3
Additionnal Information
Abequolixron (RGX-104) is a orally bioavailable liver X receptor agonist that modulates innate immunity via transcriptional activation of the ApoE gene.
Storage Conditions
3 years -20°C powder

Chemical Information

Abequolixron hydrochloride
CAS Number610318-03-1
PubChem CID68861574
IUPAC Name2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid;hydrochloride
Molecular FormulaC34H34Cl2F3NO3
Molecular Weight632.5
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity783
SMILES
C[C@H](CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4.Cl
InChI
InChI=1S/C34H33ClF3NO3.ClH/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27;/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41);1H/t24-;/m1./s1
InChIKey
LCMIYQOJZLRHTO-GJFSDDNBSA-N
Chemical Structure
2D Structure
2D structure of Abequolixron hydrochloride
CAS: 610318-03-1
CID: 68861574
Formula: C34H34Cl2F3NO3
MW: 632.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight632.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass631.1867838
Monoisotopic Mass631.1867838
Topological Polar Surface Area49.8 Ų
Heavy Atom Count43
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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S8689-2mgAbequolixron (RGX-104)
T7768-01RGX-104
206942RGX-104 HCl
A19682-25RGX-104 25mg
A19682-100RGX-104 100mg
A19682-2RGX-104 2mg
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HY-111498-01RGX-104 (hydrochloride)
A19682-50RGX-104 50mg

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