6-Thioguanine - γ-irradiated, BioReagent, suitable for hybridoma, 50 ×, lyophilized powder , CAS No.154-42-7

CAS: 154-42-7 Cat. No.: T755603 Molecular Weight: 167.19 Beilstein Registry Number: 157765 EC Number: 205-827-2

GRADE & PURITY BioReagent, Suitable for hybridoma, γ-irradiated, 50 ×, lyophilized powder

Storage

Room temperature

Shipped In

Normal

Overview

Used in hybridoma formation applications as a selection agent.

Specifications

Specifications & Purity

γ-irradiated, BioReagent, suitable for hybridoma, 50 ×, lyophilized powder

Biochemical and Physiological Mechanisms

Ribosylated and phosphorylated by the same pathway as natural purine bases; as the nucleotide, inhibits a variety of cellular processes involved in nucleic acid synthesis. Has a long history as an effective treatment of leukemia.

Storage

Room temperature

Shipped In

Normal

Grade

BioReagent, Suitable for hybridoma, γ-irradiated

Product Properties

• ALogP: -0.1

Names and Identifiers

• Canonical Smiles: C1=NC2=C(N1)C(=S)N=C(N2)N
• IUPAC Name: 2-amino-3,7-dihydropurine-6-thione
• InChIKey: WYWHKKSPHMUBEB-UHFFFAOYSA-N
• INCHI: 1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
• Isomeric SMILES: C1=NC2=C(N1)C(=S)N=C(N2)N
• WGK Germany: 3
• RTECS: UP0740000
• UN Number: 2811
• Packing Group: I
• Molecular Weight: 167.19
• Beilstein: 157765
• Reaxy-Rn: 9390519
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9390519&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: Purinethiones
• Alternative Parents: Pyrimidinethiones Aminopyrimidines and derivatives Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purinethione - Aminopyrimidine - Pyrimidinethione - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organopnictogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purinethiones. These are purines in which the purine moiety bears a thioketone.
• External Descriptors: 2-aminopurines

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

Chemical and Physical Properties

• Solubility: 1 M NaOH: 50 mg/mL, clear to slightly hazy
• Melt Point(°C): 360°C
• Molecular Weight: 167.190 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.027 Da
• Monoisotopic Mass: 167.027 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 225.000
• 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

References

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