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Screening compounds

Abequolixron

Also known as Benzeneacetic acid, 3-((3R)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)-, 2-(3-((3R)-3-(((2-Chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic acid, Benzeneacetic acid, 3-[(3R)-3-[[[2-chloro-3-(trifluoromethyl)phenyl]methyl](2,2-diphenylethyl)amino]butoxy]-

CAS 610318-54-2Formula C34H33ClF3NO3Molar mass 596.09 g/mol
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Abequolixron chemical structure, C34H33ClF3NO3, CAS 610318-54-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
610318-54-2
Formula
C34H33ClF3NO3
Molar mass
596.09 g/mol
HS code
292250
Category
Screening compounds

What is Abequolixron?

Plain description, key identifiers and synonyms

Abequolixron is an orally bioavailable agonist of the nuclear receptor liver X receptor beta (LXRbeta, NR1H2, LXR-b), with potential immunomodulating and antineoplastic activities. Upon oral administration, abequolixron selectively targets and binds to LXRbeta, thereby activating LXRbeta-mediated signaling, leading to the transcription of certain tumor suppressor genes and the downregulation of certain tumor promoter genes. This particularly activates the expression of apolipoprotein E (ApoE), a tumor suppressor protein, in tumor cells and certain immune cells. This activates the innate immune system, resulting in depletion of immunosuppressive myeloid-derived suppressor cells (MDSCs), tumor cells and endothelial cells in the tumor microenvironment. This reverses immune evasion, enhances anti-tumor immune responses and inhibits proliferation of tumor cells.

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LXRbeta, a member of the oxysterol receptor family, which is in the nuclear receptor family of transcription factors, plays a key role in cholesterol transport, glucose metabolism and the modulation of inflammatory responses, activation of LXRbeta suppresses tumor cell invasion, angiogenesis, tumor progression, and metastasis in a variety of tumor cell types. The expression of the ApoE protein becomes silenced in human cancers as they grow, become invasive, and metastasize, ApoE silencing is related to reduced survival in cancer patients.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid
CAS number
610318-54-2
Molecular formula
C34H33ClF3NO3
UNII
Q26B92650V
InChIKey
ZLJZDYOBXVOTSA-XMMPIXPASA-N
InChI
InChI=1S/C34H33ClF3NO3/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)/t24-/m1/s1
Canonical SMILES
CC(CCOc1cccc(CC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1
Isomeric 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

Synonyms

  • Benzeneacetic acid, 3-((3R)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)-
  • 2-(3-((3R)-3-(((2-Chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic acid
  • Benzeneacetic acid, 3-[(3R)-3-[[[2-chloro-3-(trifluoromethyl)phenyl]methyl](2,2-diphenylethyl)amino]butoxy]-
  • LXR-b Agonist RGX-104
  • RGX 104
  • Liver X Receptor beta Agonist RGX-104
  • (3-((3r)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic acid
  • RGX-104 free Acid
  • RGX104 Free Acid
  • RGX-104 free form
  • RGX-104 free Acid?
  • (R)-2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic acid
  • SB 742881
  • WHO 11555
  • 2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid
  • Abequolixron (RGX-104)
  • 610318-54-2 (free form)
  • RGX-104 free form?
  • Abequolixron (USAN/INN)
  • RGX-104 (free form)
  • C34H33ClF3NO3
  • RGX-104freeAcid/SB742881
  • SB 742881, RGX-104 free form
  • (R)-2-[3-[3-[[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]-3-methylpropoxy]phenyl]acetic acid
  • 610318-54-2 (FREE FORM) 610318-03-1 (HCL)
Show all 26 synonyms
  • (3-((3R)-3-(((2-Chloro-3-(trifluoromethyl)phenyl)methyl)(2,2- diphenylethyl)amino)butoxy)phenyl)acetic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
596.09 g/molcalc.
Exact mass
595.2101 Dacalc.
LogP (octanol/water)
8.48calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
13calc.
Heavy atoms
42calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(CN(CCCOc2ccccc2)CC(c2ccccc2)c2ccccc2)cc1

c1ccc(CN(CCCOc2ccccc2)CC(c2ccccc2)c2ccccc2)cc1

4 rings, 32 atoms.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Abequolixron suppliers

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All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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Abequolixron price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Abequolixron is traded under.

HS 2922.50Indicative HS code

Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function

World exports in 2024
$3.29B
−5.9% vs 2023, imports $3.19B
2019 to 2024
Top exporters
  1. China39.2%
  2. United Kingdom27.1%
  3. India * partner reported4.8%
Top importers
  1. United States20.7%
  2. Germany7.6%
  3. Italy6.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Abequolixron is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Abequolixron, based on the data on this page

What is Abequolixron?

Abequolixron is an orally bioavailable agonist of the nuclear receptor liver X receptor beta (LXRbeta, NR1H2, LXR-b), with potential immunomodulating and antineoplastic activities.

What is the CAS number of Abequolixron?

The CAS registry number of Abequolixron is 610318-54-2.

What is the molecular formula and weight of Abequolixron?

The molecular formula of Abequolixron is C34H33ClF3NO3 and its molar mass is 596.09 g/mol.

What is Abequolixron used for?

Known uses and roles of Abequolixron include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Abequolixron hazardous?

No GHS hazard classification for Abequolixron is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Abequolixron?

Abequolixron is usually classified under HS code 292250 (Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Abequolixron?

CompoundList lists 2 suppliers of Abequolixron in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Abequolixron?

Suppliers quote Abequolixron on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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