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SPR inhibitor 3

CAT: 0931-T16924-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T16924-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1292285-54-1
Target
Others
Related Pathways
Others
Bioactivity
SPR inhibitor 3 is an effective sepiapterin reductase inhibitor. SPR inhibitor 3 decreases neuropathic and inflammatory pain through a reduction of BH4 levels. SPR inhibitor 3 shows a high binding affinity to human SPR in a cell-free assay (IC50=74 nM) and efficiently reduces biopterin levels in a cell-based assay (IC50=5.2 μM) .
Smiles
COCC(=O)NCCc1c(C)[nH]c2ccc(O)cc12
Molecular Formula
C14H18N2O3
Molecular Weight
262.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SPRi3
CAS Number1292285-54-1
PubChem CID52911386
IUPAC NameN-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide
Molecular FormulaC14H18N2O3
Molecular Weight262.30
XLogP1.6
Topological Polar Surface Area74.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity311
SMILES
CC1=C(C2=C(N1)C=CC(=C2)O)CCNC(=O)COC
InChI
InChI=1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)
InChIKey
YBXBWBBVLXZQBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SPRi3
CAS: 1292285-54-1
CID: 52911386
Formula: C14H18N2O3
MW: 262.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.30
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass262.13174244
Monoisotopic Mass262.13174244
Topological Polar Surface Area74.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity311
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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