(R)-Lisofylline - Moligand™, ≥98% , CAS No.100324-81-0

CAS: 100324-81-0 Cat. No.: R341807 Peso molecular: 280.32

GRADE & PURITY Moligand™, ≥98%

Synonyms

(-)-lisofylline | ProTec (TN) | 1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | 1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | 1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-purine-2,6-dione | GTPL9225 | LISOFYL

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

(R)-Lisofylline is an immunomodulator and a major metabolite of Pentoxifylline and Methylxanthine. (R)-Lisofylline inhibits production of phosphatidic acid during the inflammatory response.

Specifications

Sinónimos

(-)-lisofylline | ProTec (TN) | 1-[(5R)-5-hydroxyhexyl]-3, 7-dimethyl-2, 3, 6, 7-tetrahydro-1H-purine-2, 6-dione | 1-[(5R)-5-hydroxyhexyl]-3, 7-dimethyl-3, 7-dihydro-1H-purine-2, 6-dione | 1-[(5R)-5-hydroxyhexyl]-3, 7-dimethyl-purine-2, 6-dione | GTPL9225 | LISOFYL

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Propiedades del producto

• pKa: pKₐ: 0.51 (Predicted)

Nombres e identificadores

• Pubchem Sid: 504758954
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758954
• Sonrisas canónicas: CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
• IUPAC Name: 1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione
• InChIKey: NSMXQKNUPPXBRG-SECBINFHSA-N
• INCHI: 1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1
• Isómeros SMILES: C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
• Peso molecular: 280.32
• Reaxy-Rn: 622590
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=622590&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: 6-oxopurines Alkaloids and derivatives Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• 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

Objetivos asociados (humanos)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Homo sapiens (32628 Activities)

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Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

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INS1 (2867 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol (~25 mg/ml), DMSO (~20 mg/ml), DMF (~15 mg/ml), chloroform, and methanol.
• Sensibilidad: Moisture sensitive
• Índice de refracción: n20D1.62 (Predicted)
• Rotación específica [α]: α20/D -6.26°, c = 1 in methanol
• Punto de ebullición (°C): 511.2° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 105-107° C
• Peso molecular: 280.320 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 280.154 Da
• Monoisotopic Mass: 280.154 Da
• Topological Polar Surface Area: 78.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 390.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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