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Acetyl-6-formylpterin

CAT: 0804-HY-124004-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124004-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acetyl-6-formylpterin (Ac-6-FP) is a hapten that covalently binds to MR1 through residue Lys43 of the protein, resulting in protein upregulation. Acetyl-6-formylpterin (Ac-6-FP) can be used in the study of inflammation[1].
CAS Number
29769-49-1
Product Name Alternative
Ac-6-FP
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/acetyl-6-formylpterin.html
Purity
95.0
Solubility
DMF : 50 mg/mL (ultrasonic; warming)
Smiles
O=CC1=CNC2=NC(NC(C)=O)=NC(C2=N1)=O
Molecular Formula
C9H7N5O3
Molecular Weight
233.18
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Goossens JF, et al. Properties and reactivity of the folic acid and folate photoproduct 6-formylpterin. Free Radic Biol Med. 2021 Aug 1;171:1-10.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

n-(6-Formyl-4-oxo-1,4-dihydropteridin-2-yl)acetamide

N(2)-acetyl-6-formylpterin is pterin acetylated on N-2 and carrying a formyl group at position 6.

CAS Number29769-49-1
PubChem CID135447887
IUPAC NameN-(6-formyl-4-oxo-3H-pteridin-2-yl)acetamide
Molecular FormulaC9H7N5O3
Molecular Weight233.18
XLogP-1.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity394
SMILES
CC(=O)NC1=NC2=NC=C(N=C2C(=O)N1)C=O
InChI
InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17)
InChIKey
DDBCPKAHJKOGKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of n-(6-Formyl-4-oxo-1,4-dihydropteridin-2-yl)acetamide
CAS: 29769-49-1
CID: 135447887
Formula: C9H7N5O3
MW: 233.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.18
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass233.05488910
Monoisotopic Mass233.05488910
Topological Polar Surface Area113 Ų
Heavy Atom Count17
Formal Charge0
Complexity394
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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