RGX-104 - 10mM in DMSO , CAS No.610318-03-1

CAS: 610318-03-1 Cat. No.: R425055 Formula: C₃₄H₃₄Cl₂F₃NO₃ Molecular Weight: 632.54 PubChem CID: 68861574

GRADE & PURITY 10mM in DMSO

Synonyms

AMY16847 | MS-30867 | SB-742881 HYDROCHLORIDE | BENZENEACETIC ACID, 3-((3R)-3-(((2-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)METHYL)(2,2-DIPHENYLETHYL)AMINO)BUTOXY)-, HYDROCHLORIDE (1:1) | BCP29451 | UNII-D32013XLTX | AC-31569 | RGX104 HCl | RGX-104 HCl | (3-((3R)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

RGX-104 RGX-104 is a orally bioavailable liver X receptor agonist that modulates innate immunity via transcriptional activation of the ApoE gene.

Targets

LXR

In vitro

RGX-104 is an oral first-in-class LXR agonist that robustly induces ApoE expression resulting in innate-immune mediated anti-tumor activity. RGX-104 drives anti-tumor immunity by regulating the abundance and activity of myeloid derived suppressor cells (MDSC) and dendritic cells (DC).

In vivo

Antitumor activity has been demonstrated with RGX-104 monotherapy in several syngeneic and xenograft tumor models, including melanoma, lung cancer, ovarian cancer, GBM and others. The anti-tumor activity of LXR-agonism is related to constitutive upregulation of ApoE expression.

Specifications

Synonyms

AMY16847 | MS-30867 | SB-742881 HYDROCHLORIDE | BENZENEACETIC ACID, 3-((3R)-3-(((2-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)METHYL)(2,2-DIPHENYLETHYL)AMINO)BUTOXY)-, HYDROCHLORIDE (1:1) | BCP29451 | UNII-D32013XLTX | AC-31569 | RGX104 HCl | RGX-104 HCl | (3-((3R)

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

RGX-104 is a orally bioavailable liver X receptor agonist that modulates innate immunity via transcriptional activation of the ApoE gene.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

ALogP

5.85

Rotatable Bond

14

Names and Identifiers

Pubchem Sid

528766877

Canonical 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

IUPAC Name

2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid;hydrochloride

InChIKey

LCMIYQOJZLRHTO-GJFSDDNBSA-N

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

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.Cl

PubChem CID

68861574

Molecular Weight

632.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Trifluoromethylbenzenes Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Trifluoromethylbenzene - Phenoxy compound - Phenylmethylamine - Phenol ether - Benzylamine - Aralkylamine - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 158.092768836753
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 632.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 631.187 Da
• Monoisotopic Mass: 631.187 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 783.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3