SGC2085 - Moligand™, ≥99% , Inhibitor of coactivator associated arginine methyltransferase 1, CAS No.1821908-48-8, Inhibitor of coactivator associated arginine methyltransferase 1

CAS: 1821908-48-8 Cat. No.: S413977 Molecular Weight: 312.41

GRADE & PURITY Moligand™, ≥99%

Synonyms

Propanamide,2-​amino-​N-​[[4-​(3,​5-​dimethylphenoxy)​-​3-​methylphenyl]​methyl]​-​,(2S)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

SGC2085 SGC2085 is a potent and selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) inhibitor with an IC50 value of 50 nM and >100-fold selective over other PRMTs.

Targets

CARM1 (Cell-free assay) 50 nM

In vitro

With the exception of PRMT6 (IC50 = 5.2 μM), SGC2085 does not inhibit other PRMTs. Although CARM1(PRMT4) is previously shown to asymmetrically dimethylate BAF155 at R1064, no cellular activity is observed for SGC2085 when tested up to 10 μM. The absence of cellular activity for SGC2085 may due to poor permeability.

Cell Research(from reference)

Cell lines：HEK293 cells 

Concentrations：up to 10 μM 

Incubation Time：48 h 

Specifications

Synonyms

Propanamide, 2-​amino-​N-​[[4-​(3, ​5-​dimethylphenoxy)​-​3-​methylphenyl]​methyl]​-​, (2S)​-

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

SGC2085 is a potent and selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) inhibitor with an IC50 value of 50 nM and >100-fold selective over other PRMTs.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of coactivator associated arginine methyltransferase 1

Purity

≥99%

Product Properties

• ALogP: 3.498
• hba_count: 2
• HBD Count: 2
• Rotatable Bond: 5

Names and Identifiers

• Pubchem Sid: 504772918
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772918
• Canonical Smiles: CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)CNC(=O)C(C)N)C)C
• IUPAC Name: (2S)-2-amino-N-[[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl]propanamide
• InChIKey: GLFOFXKMALJTCZ-HNNXBMFYSA-N
• INCHI: 1S/C19H24N2O2/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20/h5-10,15H,11,20H2,1-4H3,(H,21,22)/t15-/m0/s1
• Isomeric SMILES: CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)CNC(=O)[C@H](C)N)C)C
• Alternate CAS: 1821908-49-9;1821908-49-9
• Molecular Weight: 312.41

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Alpha amino acid amides Alanine and derivatives Phenol ethers Ethers Carboxylic acid amides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - Phenol ether - Carboxamide group - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Associated Targets(Human)

CARM1 Tchem Histone-arginine methyltransferase CARM1 (1 Activities)

Discover Target: CARM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 62 mg/mL (198.45 mM); Ethanol: 62 mg/mL (198.45 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 62
• DMSO(mM) Max Solubility: 198.4571557
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 312.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 312.184 Da
• Monoisotopic Mass: 312.184 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 378.000
• 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: 1