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PU-02

CAT: 0013-GTR19157907-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157907-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PU-02 is a potent and selective antagonist of 5-HT3 receptor.
CAS Number
313984-77-9
Product Name Alternative
6-[ (1-Naphthalenylmethyl) thio]-9H-purine
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (855.11 mM)
Smiles
C (Sc1ncnc2nc[nH]c12) c1cccc2ccccc12
Molecular Formula
C16H12N4S
Molecular Weight
292.36
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

6-((1-naphthylmethyl)sulfanyl)-9H-purine

structure in first source

CAS Number313984-77-9
PubChem CID720937
IUPAC Name6-(naphthalen-1-ylmethylsulfanyl)-7H-purine
Molecular FormulaC16H12N4S
Molecular Weight292.4
XLogP3.7
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity353
SMILES
C1=CC=C2C(=C1)C=CC=C2CSC3=NC=NC4=C3NC=N4
InChI
InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20)
InChIKey
BGMSTNYJYPSLHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-((1-naphthylmethyl)sulfanyl)-9H-purine
CAS: 313984-77-9
CID: 720937
Formula: C16H12N4S
MW: 292.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass292.07826757
Monoisotopic Mass292.07826757
Topological Polar Surface Area79.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity353
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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