5-Methoxy-DL-tryptophan - ≥98% , CAS No.28052-84-8

CAS: 28052-84-8 Cat. No.: M345019 Summenformel: C₁₂H₁₄N₂O₃ Molekulargewicht: 234.25

GRADE & PURITY ≥98%

Synonyms

bmse000943 | DL-5-Methoxytryptophan | MFCD00005650 | NCGC00142448-01 | SCHEMBL18029115 | 5-Methoxy-dl-tryptophan | SCHEMBL122600 | AKOS005174050 | dl-5-Methoxy tryptophan | DTXSID50862973 | H-Trp(5-OCH3)-OH | SY083561 | FT-0620573 | 5-Methoxy-DL-tryptopha

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

5-Methoxy-DL-tryptophan is an amino acid derivative.

Specifications

Synonyme

bmse000943 | DL-5-Methoxytryptophan | MFCD00005650 | NCGC00142448-01 | SCHEMBL18029115 | 5-Methoxy-dl-tryptophan | SCHEMBL122600 | AKOS005174050 | dl-5-Methoxy tryptophan | DTXSID50862973 | H-Trp(5-OCH3)-OH | SY083561 | FT-0620573 | 5-Methoxy-DL-tryptopha

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488187614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187614
• Kanonisches Lächeln: COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N
• IUPAC Name: 2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
• InChIKey: KVNPSKDDJARYKK-UHFFFAOYSA-N
• INCHI: 1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)
• Isomere SMILES: COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N
• Molekulargewicht: 234.25
• Reaxy-Rn: 26781
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26781&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Serotonins
• Alternative Parents: Indolyl carboxylic acids and derivatives 3-alkylindoles Alpha amino acids Anisoles Alkyl aryl ethers Aralkylamines Substituted pyrroles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Serotonin - Indolyl carboxylic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as serotonins. These are compounds containing a serotonin moiety, which consists of an indole that bears an aminoethyl a position 2 and a hydroxyl group at position 5.
• External Descriptors: tryptamines

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.

DOI: 10.1186/s13321-016-0174-y

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VDR Tclin Vitamin D receptor (26531 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 258-261° C
• Molekulargewicht: 234.250 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 234.1 Da
• Monoisotopic Mass: 234.1 Da
• Topological Polar Surface Area: 88.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 285.000
• 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