(S)-2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid - ≥98% , CAS No.42438-90-4

CAS: 42438-90-4 Cat. No.: T170295 Summenformel: C₁₂H₁₂N₂O₂ Molekulargewicht: 216.24 EG-Nummer: 868-990-4

GRADE & PURITY ≥98%

Synonyms

H-Tpi-OH;L-1,2,3,4-Tetrahydro--carboline-3-carboxylic acid;L-Tryptoline-3-carboxylic acid;L-1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid | (3S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid | Q27466042 | EN300-312396 | (S)-2,3,4,9-TE

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

H-Tpi-OH;L-1,2,3,4-Tetrahydro--carboline-3-carboxylic acid;L-Tryptoline-3-carboxylic acid;L-1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid | (3S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid | Q27466042 | EN300-312396 | (S)-2,3,4,9-TE

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Aktionsart

AGONIST

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O
• IUPAC Name: (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
• InChIKey: FSNCEEGOMTYXKY-JTQLQIEISA-N
• INCHI: 1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1
• Isomere SMILES: C1[C@H](NCC2=C1C3=CC=CC=C3N2)C(=O)O
• Molekulargewicht: 216.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Pyridoindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta carbolines
• Alternative Parents: L-alpha-amino acids 3-alkylindoles Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta-carboline - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - L-alpha-amino acid - Indole - Aralkylamine - Benzenoid - Pyrrole - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
• External Descriptors: Not available

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

Zugehörige Ziele (menschlich)

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SACC-LM (7 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Oryctolagus cuniculus (11301 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nqo1 NAD(P)H dehydrogenase [quinone] 1 (1058 Activities)

Discover Target: Nqo1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water
• Empfindlichkeit: Air sensitive；Heat sensitive
• Schmelzpunkt (°C): 282 °C
• Molekulargewicht: 216.240 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 216.09 Da
• Monoisotopic Mass: 216.09 Da
• Topological Polar Surface Area: 65.099 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 42438-90-4, the molecular formula is C12H12N2O2, and the molecular weight is 216.24 g/mol. InChIKey FSNCEEGOMTYXKY-JTQLQIEISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.