N-Acetyl-L-arginine
Basic information
- CAS
155-84-0- Standard SMILES
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O- InChIKey
SNEIUMQYRCDYCH-LURJTMIESA-N- Molecular formula
- C8H16N4O3
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.12224039
Overview
N(alpha)-acetyl-L-arginine is an N-acetyl-L-amino acid that is L-arginine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group. It has a role as a human metabolite. It is a conjugate acid of a N(alpha)-acetyl-L-argininate.
Names & identifiers
- Preferred name
- N-Acetyl-L-arginine
- IUPAC
- (2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acid
- English name
- N-alpha-Acetyl-L-arginine
- Molecular formula
- C8H16N4O3
- Molecular weight
- 216.24
Names & synonyms
N-Acetyl-L-arginine155-84-0N-ALPHA-L-ACETYL-ARGININEN-Ac-L-Arg-OHTQ7DL04CAE(2S)-5-carbamimidamido-2-acetamidopentanoic acidDTXSID80883338N-acetyl-(L)-arginine(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acidn-alpha-acetylarginine(2S)-2-acetamido-5-(diaminomethylideneazaniumyl)pentanoateRefChem:828878
Show more names
Nα-acetyl-L-arginineN-Ac-ArgAC-ARGININEAc-L-Arg-OHNα-Ac-L-ArgAc-Arg-OH.H2ONα
DTXCID901022876Ac-Arg-OHN2-Acetyl-L-arginineL-Arginine, N2-acetyl-acetyl argininen-acetylarginineN-ALPHA-ACETYL-L-ARGININEMFCD00019733
Database identifiers
- CAS
155-84-0- PubChem CID
- 67427
- DTXSID
DTXSID80883338- ChEBI
CHEBI:40521- UNII
- TQ7DL04CAE
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsCosmetic ingredients (Acetyl Arginine) -> CIR (Cosmetic Ingredient Review)
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 215 °C · 215 °C
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Aqueous Acid (Slightly), Aqueous Base (Slightly, Sonicated), Methanol (Slightly）
- pka
- 3.6 · 3.60±0.10(Predicted)
- form
- Powder
- color
- White
- InChI
- InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
- InChIKey
- SNEIUMQYRCDYCH-LURJTMIESA-N
- SMILES
- C(O)(=O)[C@H](CCCNC(N)=N)NC(C)=O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Toxicology
Toxicity Summary
The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Arginine
Safe for use in cosmetics, with qualifications
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2925290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Acetyl Arginine
General Manufacturing InformationL-Arginine, N2-acetyl-: ACTIVE
Applications
Uses(2S)-2-Acetamido-5-(diaminomethylideneamino)pentanoic Acid (cas# 155-84-0) is a useful research chemical. Used in PEGylated, cobalt-substituted recombinant human arginase-1 for the treatment of coronavirus infection.
Additional notes
DefinitionChEBI: An N-acetyl-L-amino acid that is L-arginine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group.
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