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1-Methyl-DL-tryptophan - 97%, high purity , CAS No.26988-72-7
Basic Description
Synonyms
SCHEMBL14202956 | TERT-BUTYL 7-AMINO-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBOXYLATE | MFCD14583325 | 2-amino-3-(1-methylindol-3-yl)propanoic acid | AB91903 | FT-0695121 | NSC77678 | NSC-77678 | tryptophan, 1-methyl- | 1-MT | 1-Methyl-DL-tryptophan, 97% | 2-
Specifications & Purity
Moligand™, ≥97%
Storage Temp
Room temperature
Shipped In
Normal
Grade
Moligand™
Product Description
application：
1-Methyl-DL-tryptophan, a competitive inhibitor of indoleamine 2,3 dioxygenase-1 (IDO1), has been used to study inflammation-induced depression in mice and syncytial virus induced bronchiolitis.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolyl carboxylic acids and derivatives
Alternative Parents
3-alkylindoles Alpha amino acids N-alkylindoles Aralkylamines N-methylpyrroles Benzenoids Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Monoalkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolyl carboxylic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - N-alkylindole - 3-alkylindole - Indole - Aralkylamine - N-methylpyrrole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
External Descriptors
non-proteinogenic alpha-amino acid - tryptophan derivative
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488187106
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187106
IUPAC Name
2-amino-3-(1-methylindol-3-yl)propanoic acid
INCHI
InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)
InChIKey
ZADWXFSZEAPBJS-UHFFFAOYSA-N
Smiles
CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N
Isomeric SMILES
CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N
WGK Germany
3
Alternate CAS
26988-72-7,21339-55-9
NSC Number
77678
MeSH Entry Terms
1-methyl-DL-Trp;1-methyltryptophan;indoximod
Molecular Weight
218.25
Reaxy-Rn
20071
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20071&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
250℃ (dec.) (lit.)
Molecular Weight
218.250 g/mol
XLogP3
-1.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
218.106 Da
Monoisotopic Mass
218.106 Da
Topological Polar Surface Area
68.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
270.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
A2207166