AZD8848 - Moligand™, ≥98% , CAS No.866269-28-5

CAS: 866269-28-5 Cat. No.: A651185 Formula: C₂₉H₄₃N₇O₅ Peso molecolare: 569.70 Numero EC: 642-434-9 PubChem CID: 11592228

GRADE & PURITY Moligand™, ≥98%

Synonyms

methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate | Benzeneacetic acid, 3-(((3-(6-amino-2-butoxy-7,8-dihydro-8-oxo-9H-purin-9-yl)propyl)(3-(4-morpholinyl)propyl)amino)methyl)-, methyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

AZD8848 is a selective toll-like receptor 7 (TLR7) anteagent agonist which is developed for the research of asthma and allergic rhinitis

In Vitro

AZD8848 shows good activity against TLR7, with cellular pEC 50 s of 7.0 and 6.6 for human TLR7 and rat TLR7, respectively. AZD8848 has an EC 50 of 4 nM in the induction of IFNα from human PBMCs and an IC 50 of 0.2-1.0 nM for the inhibition of IL-5, irrespective of whether the T cells have been polyclonally stimulated with PHA or via antigen presentation. AZD8848 is a potent, selective TLR7 agonist antedrug able to inhibit Th2 responses in vitro. AZD8848 has no activity against human TLR8 or against any of the other human TLRs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

AZD8848 (0.1-1 mg/kg; intratracheal) has a good pharmacokinetics in the Brown Norway rat . AZD8848 (0.3 mg/kg; Intratracheal) suppresses the ovalbumin (OVA) challenge in the rat allergy model . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Brown Norway rat allergy model Dosage: 0.1 mg/kg, 1 mg/kg Administration: Intratracheal (24 hours prior to and 24 hours after the OVA challenge) Result: Suppressed OVA challenge in a dose-dependent manner. Animal Model: Brown Norway rat Dosage: 0.3 mg/kg (Pharmacokinetic Analysis) Administration: Intratracheal Result: Has a very short half-life (0.2 min) in rat blood and declined slowly after this point and levels above 1000 nmol/kg were maintained for over 5 hours.

Form:Solid

IC50& Target:TLR7

Specifications

Sinonimi

methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate | Benzeneacetic acid, 3-(((3-(6-amino-2-butoxy-7,8-dihydro-8-oxo-9H-purin-9-yl)propyl)(3-(4-morpholinyl)propyl)amino)methyl)-, methyl

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

AZD8848 is a selective toll-like receptor 7 (TLR7) anteagent agonist which is developed for the research of asthma and allergic rhinitis.

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.

Grado

Moligand™

Tipo di azione

AGONIST

Purezza

≥98%

Proprietà del prodotto

• ALogP: 2.3

Nomi e identificatori

• Sorrisi canonici: CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CCCN(CCCN3CCOCC3)CC4=CC=CC(=C4)CC(=O)OC)N
• IUPAC Name: methyl 2-[3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]phenyl]acetate
• InChIKey: FEFIBEHSXLKJGI-UHFFFAOYSA-N
• INCHI: 1S/C29H43N7O5/c1-3-4-16-41-28-32-26(30)25-27(33-28)36(29(38)31-25)13-7-12-35(11-6-10-34-14-17-40-18-15-34)21-23-9-5-8-22(19-23)20-24(37)39-2/h5,8-9,19H,3-4,6-7,10-18,20-21H2,1-2H3,(H,31,38)(H2,30,32,33)
• Isomeri SMILES: CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CCCN(CCCN3CCOCC3)CC4=CC=CC(=C4)CC(=O)OC)N
• CAS alternativo: 866269-28-5,1310826-85-7
• PubChem CID: 11592228
• Termini MeSH: AZD8848
• Peso molecolare: 569.70

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 Phenylmethylamines Benzylamines Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines N-substituted imidazoles Morpholines Imidolactams Methyl esters Heteroaromatic compounds Ureas Trialkylamines Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Primary amines Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Purinone - Benzylamine - Phenylmethylamine - Alkyl aryl ether - Aminopyrimidine - Aralkylamine - Morpholine - N-substituted imidazole - Monocyclic benzene moiety - Oxazinane - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Azole - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Urea - Oxacycle - Ether - Dialkyl ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - 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

Proprietà chimiche e fisiche

• Solubilità: DMSO : 25 mg/mL (43.88 mM; ultrasonic and warming and heat to 60°C)
• Peso molecolare: 569.700 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 17
• Exact Mass: 569.333 Da
• Monoisotopic Mass: 569.333 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 802.000
• 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