BRD9539 - Moligand™, ≥98% , Inhibitor of euchromatic histone lysine methyltransferase 2, CAS No.1374601-41-8, Inhibitor of euchromatic histone lysine methyltransferase 2

CAS: 1374601-41-8 Cat. No.: B346030 Summenformel: C₂₄H₂₁N₃O₃ Molekulargewicht: 399.44 EG-Nummer: 802-769-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

BRD9539 | BRD-9539 | BRD 9539 | 2-Benzamido-1-(3-phenylpropyl)-1H-benzo[d]imidazole-5-carboxylic acid | BRD9539, >=98% (HPLC) | J-007025 | 2-(BenzoylaMino)-1-(3-phenylpropyl)-1H-benziMidazole-5-carboxylic acid | ZEC60141 | 2-benzamido-1-(3-phenylpropyl)-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

BRD9539 | BRD-9539 | BRD 9539 | 2-Benzamido-1-(3-phenylpropyl)-1H-benzo[d]imidazole-5-carboxylic acid | BRD9539, >=98% (HPLC) | J-007025 | 2-(BenzoylaMino)-1-(3-phenylpropyl)-1H-benziMidazole-5-carboxylic acid | ZEC60141 | 2-benzamido-1-(3-phenylpropyl)-1

Spezifikationen & Reinheit

Moligand™, ≥98%

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 euchromatic histone lysine methyltransferase 2

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528763517
• Kanonisches Lächeln: C1=CC=C(C=C1)CCCN2C3=C(C=C(C=C3)C(=O)O)N=C2NC(=O)C4=CC=CC=C4
• IUPAC Name: 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylic acid
• InChIKey: WPXMEOBILYVKBC-UHFFFAOYSA-N
• INCHI: 1S/C24H21N3O3/c28-22(18-11-5-2-6-12-18)26-24-25-20-16-19(23(29)30)13-14-21(20)27(24)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,29,30)(H,25,26,28)
• Isomere SMILES: C1=CC=C(C=C1)CCCN2C3=C(C=C(C=C3)C(=O)O)N=C2NC(=O)C4=CC=CC=C4
• WGK Deutschland: 3
• Alternative CAS-Nummer: 1374601-41-8
• Molekulargewicht: 399.44
• Reaxy-Rn: 43789821
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43789821&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Benzamides Benzoyl derivatives N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzamide - Benzimidazole - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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)

EHMT2 Tchem Histone-lysine N-methyltransferase EHMT2 (1 Activities)

Discover Target: EHMT2

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

EHMT1 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (407 Activities)

Discover Target: EHMT1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 399.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 399.158 Da
• Monoisotopic Mass: 399.158 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 586.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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