7-Methyltryptamine - ≥98% , CAS No.14490-05-2

CAS: 14490-05-2 Cat. No.: M131977 분자식: C₁₁H₁₄N₂ 분자량: 174.24 EC 번호: 238-498-9

GRADE & PURITY ≥98%

Synonyms

5-22-10-00169 (Beilstein Handbook Reference) | AKOS000264959 | Q63399580 | 7-Methyl-1H-indole-3-ethylamine | NSC91540 | NSC-91540 | 7-methyl tryptamine | 1-BOC-4-[(4-BROMO-BENZYLAMINO)-METHYL]-PIPERIDINE | SCHEMBL690659 | 2-(7-Methyl-1H-indol-3-yl)ethylam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

7-Methyltryptamine is a reactant for synthesis of β-carbolines, substituted tetrahydro-β-carbolines, asymmetric synthesis of nitrogen heterocycles, amidation reactions, potent β3-adrenergic receptor agonists and tryptamine-based sulfonamides and tryptamine-based sulfonamides.

Specifications

동의어

5-22-10-00169 (Beilstein Handbook Reference) | AKOS000264959 | Q63399580 | 7-Methyl-1H-indole-3-ethylamine | NSC91540 | NSC-91540 | 7-methyl tryptamine | 1-BOC-4-[(4-BROMO-BENZYLAMINO)-METHYL]-PIPERIDINE | SCHEMBL690659 | 2-(7-Methyl-1H-indol-3-yl)ethylam

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

528762773

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528762773

정식 스마일

CC1=C2C(=CC=C1)C(=CN2)CCN

IUPAC Name

2-(7-methyl-1H-indol-3-yl)ethanamine

InChIKey

SGGBZKQTWMKXHD-UHFFFAOYSA-N

INCHI

1S/C11H14N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5-6,12H2,1H3

이성체 SMILES

CC1=C2C(=CC=C1)C(=CN2)CCN

WGK 독일

3

분자량

174.24

Reaxy-Rn

134185

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=134185&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles 2-arylethylamines Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - 2-arylethylamine - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Amine - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• 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

관련 대상(인간)

HTR2A Tclin 5-hydroxytryptamine receptor 2A (1 Activities)

Discover Target: HTR2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

Discover Target: SLC6A2

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

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

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

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

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

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 174.240 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 174.116 Da
• Monoisotopic Mass: 174.116 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 169.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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