Basic information
- CAS
3650-73-5- Standard SMILES
NCCCC(=O)NC(Cc1cnc[nH]1)C(=O)O- InChIKey
CCLQKVKJOGVQLU-UHFFFAOYSA-N- Molecular formula
- C10H16N4O3
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.12224039
Overview
Homocarnosine is a histidine derivative that is histidine in which one of the hydrogens attached to the alpha-amino group has been replaced by a 4-aminobutanoyl group. It has a role as a metabolite. It is a histidine derivative, a member of imidazoles and a N-acyl-amino acid. It is functionally related to a gamma-aminobutyric acid.
Names & identifiers
- Preferred name
- N-(4-Aminobutanoyl)histidine
- IUPAC
- 2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
- English name
- L-HOMOCARNOSINE FREE BASE
- Molecular formula
- C10H16N4O3
- Molecular weight
- 240.26
Names & synonyms
.gamma.-Aminobutyryl-L-histidineL-Homocarnosine free baseN-(4-Aminobutanoyl)histidineNSC92522L-Histidine, N-(4-amino-1-oxobutyl)-Homocarnosine TFAUNII-M8L4BH36SC.gamma.-AminobutyrylhistidineNSC 92522N-(4-aminobutyryl)histidineSCHEMBL10937318SCHEMBL21631681
Show more names
NSC-92522γAbu-L-His-OH[H659245] HomocarnosineTFAγ-Aminobutyryl-L-histidineNα-(4-Aminobutyryl)histidineN-(4-amino-1-oxobutyl)-L-Histidine
DTXSID70863240CCLQKVKJOGVQLU-UHFFFAOYSA-NL-histidine,n-(4-amino-1-oxobutyl)-DS-011328NS00120635ST51037299EN300-296310H20711
Database identifiers
- CAS
3650-73-5- PubChem CID
- 89235
- DTXSID
DTXSID70863240- ChEBI
CHEBI:28050
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 646.9 · 646.9±55.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml,PBS (pH 7.2): 10 mg/ml
- form
- A solid
- pka
- 2.99 · 2.99±0.10(Predicted)
- FDA UNII
- 8 L4BH36SC · M8L4BH36SC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesHomocarnosine is a dipeptide of γ-aminobutyric acid (GABA) and histidine unique to brain. Homocarnosine is an inhibitory neuromodulator synthesized in the neuron from GABA and exhibiting anticonvulsant effects[1].Homocarnosine has antioxidant and anti-inflammatory actions, prevention of DNA damage, and inhibition of advanced glycation end-product formation[2].
Suppliers37 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
ChemeGen 中国18818260767 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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