BRACO 19 trihydrochloride - ≥95%(HPLC) , CAS No.1177798-88-7

CAS: 1177798-88-7 Cat. No.: B287457 Formula: C₃₅H₄₃N₇O₂•3HCl Peso molecolare: 703.14 Numero EC: 802-563-5 PubChem CID: 10349800

QUALITÀ & PUREZZA ≥95%(HPLC)

Synonyms

N,N'-[9[[4-(Dimethylamino)phenyl]amino]-3,6-acridinediyl]bis-1-pyrrolidinepropanamide trihydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

N,N'-[9[[4-(Dimethylamino)phenyl]amino]-3,6-acridinediyl]bis-1-pyrrolidinepropanamide trihydrochloride

Specifiche e purezza

≥95%(HPLC)

Meccanismi biochimici e fisiologici

Telomerase inhibitor (IC50= 115 nM). Inhibits expression of human telomerase reverse transcriptase (hTERT), induces cellular senescence and inhibits growth of uterine cancer cellsin vitro. Inhibits growth of uterine tumor xenografts in mice.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥95%(HPLC)

Nomi e identificatori

Sorrisi canonici

CN(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6.Cl.Cl.Cl

IUPAC Name

N-[9-[4-(dimethylamino)anilino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide;trihydrochloride

InChIKey

MJAPNWJRLLDPAB-UHFFFAOYSA-N

INCHI

1S/C35H43N7O2.3ClH/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42;;;/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39);3*1H

Isomeri SMILES

CN(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6.Cl.Cl.Cl

PubChem CID

10349800

Peso molecolare

703.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: 4-aminoquinolines Beta amino acids and derivatives N-arylamides Aniline and substituted anilines Dialkylarylamines Aminopyridines and derivatives N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Secondary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Aminoquinoline - Beta amino acid or derivatives - 4-aminoquinoline - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Aminopyridine - Monocyclic benzene moiety - Pyridine - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Hydrochloride - Amine - Carbonyl group - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• External Descriptors: hydrochloride

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

Obiettivi associati (umani)

TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:water, Max Conc. mg/mL: 35.16, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 35.16, Max Conc. mM: 50
• Peso molecolare: 703.100 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 701.278 Da
• Monoisotopic Mass: 701.278 Da
• Topological Polar Surface Area: 92.800 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 870.000
• 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: 4

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