DSR 6434 - ≥98% (HPLC) , CAS No.1059070-10-8

CAS: 1059070-10-8 Cat. No.: D287770 Formula: C₁₉H₂₈N₈O₂ Peso molecolare: 400.48

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS025147319 | 6-amino-2-(butylamino)-9-((6-(2-(dimethylamino)ethoxy)pyridin-3-yl)methyl)-7,9-dihydro-8h-purin-8-one | MFCD30182245 | 8H-Purin-8-one, 6-amino-2-(butylamino)-9-((6-(2-(dimethylamino)ethoxy)-3-pyridinyl)methyl)-7,9-dihydro- | UNII-8YBW739LJ

Storage

Al riparo dalla luce, conservare a -20°C, carica di argon

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

Descrizione del prodotto

DSR-6434 è un agonista potente e selettivo del recettore Toll-like 7 (TLR7), con EC50 di 7,2 nM e 4,6 nM per il TLR7 umano e di topo, rispettivamente. DSR-6434 ha un forte effetto antitumorale.

Specifications

Sinonimi

AKOS025147319 | 6-amino-2-(butylamino)-9-((6-(2-(dimethylamino)ethoxy)pyridin-3-yl)methyl)-7,9-dihydro-8h-purin-8-one | MFCD30182245 | 8H-Purin-8-one, 6-amino-2-(butylamino)-9-((6-(2-(dimethylamino)ethoxy)-3-pyridinyl)methyl)-7,9-dihydro- | UNII-8YBW739LJ

Specifiche e purezza

≥98% (HPLC)

Meccanismi biochimici e fisiologici

Potente agonista del TLR7 (EC50= 7,2 nM). Attiva diverse cellule effettrici immunitarie in vitro. Sopprime le metastasi in vivo e migliora l'efficacia della radioterapia in un modello di carcinoma colorettale.

Condizioni di conservazione di stoccaggio

Al riparo dalla luce, conservare a -20°C, carica di argon

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

AGONIST

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 528764240
• Sorrisi canonici: CCCCNC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CN=C(C=C3)OCCN(C)C)N
• IUPAC Name: 6-amino-2-(butylamino)-9-[[6-[2-(dimethylamino)ethoxy]pyridin-3-yl]methyl]-7H-purin-8-one
• InChIKey: SSZHESNDOMBSRV-UHFFFAOYSA-N
• INCHI: 1S/C19H28N8O2/c1-4-5-8-21-18-24-16(20)15-17(25-18)27(19(28)23-15)12-13-6-7-14(22-11-13)29-10-9-26(2)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,23,28)(H3,20,21,24,25)
• Isomeri SMILES: CCCCNC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CN=C(C=C3)OCCN(C)C)N
• Peso molecolare: 400.48
• Reaxy-Rn: 19736639
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19736639&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purinones
• Alternative Parents: 6-aminopurines Aminopyrimidines and derivatives Alkyl aryl ethers Pyridines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Purinone - Alkyl aryl ether - Aminopyrimidine - N-substituted imidazole - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Urea - Azacycle - Ether - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole 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

Obiettivi associati (umani)

TLR7 Tclin Toll-like receptor 7 (1 Activities)

Discover Target: TLR7

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

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Tlr7 Toll-like receptor 7 (174 Activities)

Discover Target: Tlr7

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:1eq. HCl, Max Conc. mg/mL: 20.02, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 40.05, Max Conc. mM: 100
• Sensibilità: light sensitive
• Peso molecolare: 400.500 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 400.234 Da
• Monoisotopic Mass: 400.234 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 522.000
• 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