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N-Acetyl-L-tryptophan

CAT: 0013-GTR19165862-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19165862-01Size:1 g
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Description
N-Acetyl-L-tryptophan is a selective neurokinin 1 receptor (NK1R) antagonist. It is a valuable research tool for investigating the role of substance P signaling in pain, inflammation, and emesis, applicable in both in vitro and in vivo experimental models.
CAS Number
1218-34-4
Product Name Alternative
Human Endogenous Metabolite, EndogenousMetabolite, Inhibitor, N-acetyltryptophan, NAcetylLtryptophan, N-Acetyl-L-tryptophan, Neurokinin receptor, Neurokininreceptor, NK1, N Acetyl L tryptophan, inhibit, Endogenous Metabolite
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
99.64% (May vary between batches)
Solubility
DMSO:25 mg/mL (101.52 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (8.12 mM)
Smiles
CC (=O) N[C@@H] (Cc1c[nH]c2ccccc12) C (O) =O
Molecular Formula
C13H14N2O3
Molecular Weight
246.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Acetyl-L-tryptophan

N-acetyl-L-tryptophan is a N-acetyl-L-amino acid that is the N-acetyl derivative of L-tryptophan. It has a role as a metabolite. It is a N-acetyl-L-amino acid and a L-tryptophan derivative. It is a conjugate acid of a N-acetyl-L-tryptophanate. It is an enantiomer of a N-acetyl-D-tryptophan.

CAS Number1218-34-4
PubChem CID700653
IUPAC Name(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid
Molecular FormulaC13H14N2O3
Molecular Weight246.26
XLogP1.1
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity332
SMILES
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKey
DZTHIGRZJZPRDV-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-L-tryptophan
CAS: 1218-34-4
CID: 700653
Formula: C13H14N2O3
MW: 246.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.26
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass246.10044231
Monoisotopic Mass246.10044231
Topological Polar Surface Area82.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity332
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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