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(S) - (-) -5-Fluorowillardiine

CAT: 0127-BUP02015-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02015-01Size:1 mg
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CAS Number
140187-23-1
Synonyms
(S) -5-Fluorowillardiine, (5S) -Fluorowillardiine
Purity
=98%
Smiles
C([C@@H](C(O)=O)N)N1C(=O)NC(=O)C(F)=C1

Chemical Information

(alphaS)-alpha-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoic acid

3-(5-fluorouracil-1-yl)-L-alanine is an alanine derivative that is L-alanine bearing a 5-fluorouracil-1-yl substituent at position 3. A more potent and selective AMPA receptor agonist (at hGluR1 and hGluR2) than AMPA itself (Ki = 14.7, 25.1, and 1820 nM for hGluR1, hGluR2 and hGluR5 respectively). It has a role as an AMPA receptor agonist. It is an organofluorine compound, a non-proteinogenic L-alpha-amino acid and a L-alanine derivative. It is functionally related to a uracil.

CAS Number140187-23-1
PubChem CID126569
IUPAC Name(2S)-2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
Molecular FormulaC7H8FN3O4
Molecular Weight217.15
XLogP-4.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity354
SMILES
C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F
InChI
InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChIKey
DBWPFHJYSTVBCZ-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of (alphaS)-alpha-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoic acid
CAS: 140187-23-1
CID: 126569
Formula: C7H8FN3O4
MW: 217.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.15
XLogP3-4.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass217.04988391
Monoisotopic Mass217.04988391
Topological Polar Surface Area113 Ų
Heavy Atom Count15
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T13480-01(S) - (-) -5-Fluorowillardiine
TRC-F621728-10MG(S)-(-)-5-Fluorowillardiine
465114-01S- (-) -5-Fluorowillardiine
A21337-5(S) - (-) -5-Fluorowillardiine 5mg
A21337-50(S) - (-) -5-Fluorowillardiine 50mg
A21337-10(S) - (-) -5-Fluorowillardiine 10mg
A21337-1(S) - (-) -5-Fluorowillardiine 1mg
T13480L(S) - (-) -5-Fluorowillardiine hydrochloride
A21337-100(S) - (-) -5-Fluorowillardiine 100mg
A21337-2(S) - (-) -5-Fluorowillardiine 2mg

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