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Theophylline, 8-((2-pyridylmethyl)thio)-2-thio- , CAS No.6466-14-4

Item Number
T668002
Grouped product items
SKUSizeAvailabilityPrice Qty
T668002-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
T668002-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90

Basic Description

SynonymsTheophylline, 8-((2-pyridylmethyl)thio)-2-thio- | NSC99663 | NSC-99663 | BA0N835VZI | MLS000737208 | 8-((2-Pyridylmethyl)thio)-2-thiotheophylline | 8-[(2-Pyridylmethyl)thio]-2-thiotheophylline | Theophylline, 8-[(2-pyridylmethyl)thio]-2-thio- | 1,2,3,9-Te

Product Properties

ALogP1.5

Associated Targets

CYP1A2 Tchem Cytochrome P450 1A2 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Names and Identifiers

IUPAC Name 1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one
INCHI InChI=1S/C13H13N5OS2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)21-7-8-5-3-4-6-14-8/h3-6H,7H2,1-2H3,(H,15,16)
InChi Key JEQRSEYZISVMFU-UHFFFAOYSA-N
Canonical SMILES CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCC3=CC=CC=N3
Isomeric SMILES CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCC3=CC=CC=N3
PubChem CID 97098
Molecular Weight 319.4

Certificates

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Solution Calculators