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 Summenformel: C₁₉H₂₄N₂O₂ Molekulargewicht: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥99%

Biochemische und physiologische Mechanismen

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

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of coactivator associated arginine methyltransferase 1

Reinheit

≥99%

Produkteigenschaften

ALogP

3.498

hba_count

2

HBD-Zahl

2

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

504772918

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772918

Kanonisches Lächeln

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

Isomere SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)CNC(=O)[C@H](C)N)C)C

Alternative CAS-Nummer

1821908-49-9;1821908-49-9

Molekulargewicht

312.41

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

Zugehörige Ziele (nicht menschlich)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 62 mg/mL (198.45 mM); Ethanol: 62 mg/mL (198.45 mM); Water: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 62
• DMSO (mM) Maximale Löslichkeit: 198.4571557
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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