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Chemical structure of 4-Ethynyl-L-phenylalanine hydrochloride

GC60516

4-Ethynyl-L-phenylalanine hydrochloride

Also known as (2S)-2-amino-3-(4-ethynylphenyl)propanoic acid;hydrochloride

4-Ethynyl-L-phenylalanine hydrochloride (4-Ethynyl-L-phenylalanine hydrochloride) is a potent, selective, reversible and competitive inhibitor of tryptophan hydroxylase (TPH), with a Ki of 32·6 μM

ChemicalCAS188640-63-3MW225.67FormulaC11H12ClNO2
CAS number
188640-63-3
Molecular weight
225.67
Formula
C11H12ClNO2
Solubility
Methanol: 125 mg/mL (553·91 mM); DMSO: 100 mg/mL (443·12 mM); Water: < 0·1 mg/mL (insoluble)
InChIKey
MLHYNRVXXMXXQM-PPHPATTJSA-N
Catalogue number
GC60516
Brand
GLPBIO
Computed properties PubChem CID 127264445 · TPSA 63.3 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
63.3 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

SMILES C#CC1=CC=C(C=C1)C[C@@H](C(=O)O)N.Cl

Computed descriptors from PubChem (CID 127264445), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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