Datelliptium chloride - ≥98% , CAS No.105118-14-7

CAS: 105118-14-7 Cat. No.: D412224 Formule: C₂₃H₂₈ClN₃O Poids moléculaire: 397.9

GRADE & PURITY ≥98%

Synonyms

N-2-(Diethylaminoethyl)-9-hydroxyellipticinum chloride | Stabilizer P 36 | 1,2,3-Trifenylguanidin | Datelliptium (chloride) | V5QKF7Q20O | Chlorure de datelliptium [French] | Cloruro de dateliptio [Spanish] | Datelliptii chloridum | SCHEMBL2734605 | Cloru

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Datelliptium chloride is a DNA-intercalating agent derived from ellipticine. Datelliptium chloride shows anti-tumor activities.

Specifications

Synonymes

N-2-(Diethylaminoethyl)-9-hydroxyellipticinum chloride | Stabilizer P 36 | 1,2,3-Trifenylguanidin | Datelliptium (chloride) | V5QKF7Q20O | Chlorure de datelliptium [French] | Cloruro de dateliptio [Spanish] | Datelliptii chloridum | SCHEMBL2734605 | Cloru

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Datelliptium chloride is a DNA-intercalating agent derived from ellipticine. Datelliptium chloride shows anti-tumor activities.

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

• Sourires canoniques: CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C.[Cl-]
• IUPAC Name: 2-[2-(diethylamino)ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol;chloride
• InChIKey: UCICRVXYPSKKJK-UHFFFAOYSA-N
• INCHI: 1S/C23H27N3O.ClH/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23;/h7-10,13-14,27H,5-6,11-12H2,1-4H3;1H
• Isomères SMILES: CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C.[Cl-]
• Poids moléculaire: 397.9
• Reaxy-Rn: 15432218
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15432218&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: Isoquinolines and derivatives Hydroxyindoles Indoles 1-hydroxy-2-unsubstituted benzenoids Pyridinium derivatives Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Isoquinoline - Hydroxyindole - Indole - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Poids moléculaire: 397.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 397.192 Da
• Monoisotopic Mass: 397.192 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 496.000
• 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: 2

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