4-methyl-DL-tryptophan

HCID 96374CAS 1954-45-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cccc2[nH]cc(CC(N)C(=O)O)c12
InChIKey
FPJGLSZLQLNZIW-UHFFFAOYSA-N
Molecular formula
C12H14N2O2
Average molar mass
218.25 g/mol
Monoisotopic mass
218.10552769

Overview

4-Methyl-DL-tryptophan has been reported in Aspergillus fumigatus with data available.

Names & identifiers

Preferred name
4-methyl-DL-tryptophan
IUPAC
2-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
English name
4-Methyl-DL-tryptophan
Molecular formula
C12H14N2O2
Molecular weight
218.25

Names & synonyms

4-Methyl-DL-tryptophan1954-45-62-amino-3-(4-methyl-1H-indol-3-yl)propanoic acidEINECS 217-785-2NSC 71048RefChem:99823217-785-2FPJGLSZLQLNZIW-UHFFFAOYSA-NH-4-Me-DL-Trp-OHMFCD00055987DL-2-Amino-3-(4-methylindolyl)propionic acidDL-Trp(4-Me)-OH
Show more names
2-amino-3-(4-methyl-1H-indol-3-yl)propionic acidH-Trp(4-Me)-OH4-ME-DL-TRYPTOPHANTryptophan, 4-methyl-
DL-Tryptophan,4-methyl-4-Methyltryptophan #DL-4-MethyltryptophanH-DL-Trp(4-Me)-OHSCHEMBL109837CHEMBL563629DL-(4-METHYL)TRYPTOPHANSCHEMBL18028997

Database identifiers

CAS
1954-45-6
PubChem CID
96374
DTXSID
DTXSID701366323
ChEMBL
CHEMBL563629
EC Number
217-785-2

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
79.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
270 · 270-272 °C
Boiling point
454.109 · 454.109±45.00 °C(Press: 760.00 Torr)(predicted)
Density
1.314 · 1.314±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
2 · Keep in dark place,Sealed in dry,2-8°C
pka
2.257 · 2.257±0.10(predicted)
Appearance
Light yellow to yellow Solid

Safety & regulation

Safety data

wgk
3
hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Methyl-DL-tryptophanis used in preparation of Indolocarbazoles and related compounds as AP-70 kinase inhibitors.

Suppliers36 total

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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