N(tele)-methyl-L-histidine
AlkaPlorer ID: AK005920
Synonym: '69614-06-8', '1-methylhistidine', '(2S)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid', '1-Methylhistidine', '332-80-9', 'Pi-methylhistidine'
IUPAC Name: (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
Structure
SMILES: CN1C=NC(C[C@H](N)C(=O)O)=C1
InChI: InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey: BRMWTNUJHUMWMS-LURJTMIESA-N
Reference
Compositional characterization of prune juice
PubChem CID: 7020397
CAS: 332-80-9
LOTUS: LTS0111761
SuperNatural Ⅲ: SN0033483-02
NPASS: NPC126634
Source
Properties Information
Molecule Weight: 169.184
TPSA？: 81.14
MolLogP？: -0.6255000000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | L-type amino acid transporter 1 | Activity | 85.0 | % | 10.1016/j.bmcl.2019.06.033 |
| Homo sapiens | L-type amino acid transporter 1 | Activity | 85.0 | % | 10.1021/acs.jmedchem.8b01007 |
| Homo sapiens | L-type amino acid transporter 1 | IC50 | 190000.0 | nM | 10.1016/j.bmcl.2019.06.033 |
| Homo sapiens | L-type amino acid transporter 1 | IC50 | 190000.0 | nM | 10.1021/acs.jmedchem.8b01007 |
| Homo sapiens | L-type amino acid transporter 1 | Inhibition | 70.0 | % | 10.1016/j.bmcl.2019.06.033 |
| Homo sapiens | L-type amino acid transporter 1 | Inhibition | 70.0 | % | 10.1021/acs.jmedchem.8b01007 |
| Rattus norvegicus | Histidine decarboxylase | Inhibition | 0.0 | % | 10.1021/jm00214a009 |