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

CAS: 100324-81-0 Cat. No.: R341807 Molecular Weight: 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

Overview

(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

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

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Product Properties

• pKa: pKₐ: 0.51 (Predicted)

Names and Identifiers

• Pubchem Sid: 504758954
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758954
• Canonical Smiles: 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
• Isomeric SMILES: C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
• Molecular Weight: 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
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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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Associated Targets(non-human)

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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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol (~25 mg/ml), DMSO (~20 mg/ml), DMF (~15 mg/ml), chloroform, and methanol.
• Sensitivity: Moisture sensitive
• Refractive Index: n20D1.62 (Predicted)
• Specific Rotation[α]: α20/D -6.26°, c = 1 in methanol
• Boil Point(°C): 511.2° C at 760 mmHg (Predicted)
• Melt Point(°C): 105-107° C
• Molecular Weight: 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