SGC2085 - Moligand™ , Inhibitor of coactivator associated arginine methyltransferase 1, CAS No.S613563, Inhibitor of coactivator associated arginine methyltransferase 1

CAS: S613563 Cat. No.: S613563 PubChem CID: 121231417
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
compound 27
Storage
Room temperature
★
Size
Allemagne (EU)
USA*
Price
Qty
5mg
S613563-5mg
Sur commande · 8–12 semaines

991,74€

1 158,34€
Enregistrer 166,61 € (14.38%)
25mg
S613563-25mg
Sur commande · 8–12 semaines

1 488,09€

1 737,13€
Enregistrer 249,04 € (14.34%)
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
compound 27
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
INHIBITOR
Mécanisme d'action
Inhibitor of coactivator associated arginine methyltransferase 1
Noms et identifiants
Sourires canoniquesCc1cc(cc(c1)C)Oc1ccc(cc1C)CNC(=O)[C@@H](N)C
IUPAC Name(2S)-2-amino-N-{[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl}propanamide
InChIKeyGLFOFXKMALJTCZ-HNNXBMFYSA-N
INCHI1S/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
Isomères SMILES CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)CNC(=O)[C@H](C)N)C)C
PubChem CID 121231417

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Alpha amino acid amides  Alanine and derivatives  Phenol ethers  Ethers  Carboxylic acid amides  Organopnictogen compounds  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
CARM1 Tchem Histone-arginine methyltransferase CARM1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Cibles associées (non humaines)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire312.400 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass312.184 Da
Monoisotopic Mass312.184 Da
Topological Polar Surface Area64.400 Ų
Heavy Atom Count23
Formal Charge0
Complexity378.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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