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6-Biopterin-d3

CAT: 0804-HY-102015S-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-102015S-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-Biopterin-d3 (L-Biopterin-d3) is deuterium labeled 6-Biopterin. 6-Biopterin (L-Biopterin), a pterin derivative, is a NO synthase cofactor[1].
CAS Number
1217838-71-5
Product Name Alternative
L-Biopterin-d3
UNSPSC
12352005
Target
Endogenous Metabolite; Isotope-Labeled Compounds; NO Synthase
Type
Isotope-Labeled Compounds
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; Others
Applications
Cancer-programmed cell death
Field of Research
Cancer; Neurological Disease
Smiles
O=C1C2=NC([C@@H](O)[C@@H](O)C([2H])([2H])[2H])=CNC2=NC(N)=N1
Molecular Formula
C9H8D3N5O3
Molecular Weight
240.23
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Schallreuter KU, et al. Cytotoxicity of 6-biopterin to human melanocytes. Biochem Biophys Res Commun. 1994 Oct 14;204 (1) :43-8.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Biopterin-d3
CAS Number1217838-71-5
PubChem CID136257813
IUPAC Name2-amino-6-[(1R,2S)-3,3,3-trideuterio-1,2-dihydroxypropyl]-3H-pteridin-4-one
Molecular FormulaC9H11N5O3
Molecular Weight240.23
XLogP-2.4
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity348
SMILES
[2H]C([2H])([2H])[C@@H]([C@@H](C1=CN=C2C(=N1)C(=O)NC(=N2)N)O)O
InChI
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1/i1D3
InChIKey
LHQIJBMDNUYRAM-OERXLRDQSA-N
Chemical Structure
2D Structure
2D structure of Biopterin-d3
CAS: 1217838-71-5
CID: 136257813
Formula: C9H11N5O3
MW: 240.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.23
XLogP3-2.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass240.10501947
Monoisotopic Mass240.10501947
Topological Polar Surface Area134 Ų
Heavy Atom Count17
Formal Charge0
Complexity348
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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