DC-05 - ≥98% , CAS No.890643-16-0

CAS: 890643-16-0 Cat. No.: D413013 Formule: C₂₅H₂₅N₃O Poids moléculaire: 383.5 Numéro CE: 110-409-7

QUALITÉ & PURETÉ ≥98%

Synonyms

1-carbazol-9-yl-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol | 1-((2-(1H-Indol-3-yl)ethyl)amino)-3-(9H-carbazol-9-yl)-propan-2-ol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

DC-05 is an inhibitor of DNA methyltransferase 1 (DNMT1) with IC50 and Kd of 10.3 μM and 1.09 μM, respectively.

Spécifications

Synonymes

1-carbazol-9-yl-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol | 1-((2-(1H-Indol-3-yl)ethyl)amino)-3-(9H-carbazol-9-yl)-propan-2-ol

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

DC-05 is an inhibitor of DNA methyltransferase 1 (DNMT1) with IC50 and Kd of 10.3 μM and 1.09 μM, respectively.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528764110

Sourires canoniques

C1=CC=C2C(=C1)C(=CN2)CCNCC(CN3C4=CC=CC=C4C5=CC=CC=C53)O

IUPAC Name

1-carbazol-9-yl-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol

InChIKey

LJWMTSMUQJNHOC-UHFFFAOYSA-N

INCHI

1S/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2

Isomères SMILES

C1=CC=C2C(=C1)C(=CN2)CCNCC(CN3C4=CC=CC=C4C5=CC=CC=C53)O

Poids moléculaire

383.5

Reaxy-Rn

28059261

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28059261&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Tryptamines and derivatives N-alkylindoles 3-alkylindoles Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Tryptamine - N-alkylindole - 3-alkylindole - Indole - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Azacycle - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

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Discover Target: KMT2A

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 383.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 383.2 Da
• Monoisotopic Mass: 383.2 Da
• Topological Polar Surface Area: 53.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 506.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1