DH 97 , CAS No.343263-95-6

CAS: 343263-95-6 Cat. No.: D339863 Peso molecular: 334.46
Disponible para pedir
Synonyms
N-pentanoyl 2-benzyltryptamine | Q27077041 | HMS3267D11 | Pentanoic acid [2-(2-benzyl-1H-indol-3-yl)-ethyl]-amide | DTXSID90392749 | BRD-K06014311-001-01-2 | SR-01000597373 | NCGC00025049-01 | N-(2-(2-Benzyl-1H-indol-3-yl)ethyl)pentanamide | J-019556 | HM
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10mg
D339863-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
180,90US$
50mg
D339863-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
732,90US$
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Temperatura ambiente Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

El DH 97 es un antagonista del MEL-1B-R (receptor de la melatonina) (valor pK|i| = 8,03). El DH 97 es 89 veces más selectivo que el MEL-1A-R y 229 veces más selectivo que el GPR50.

Specifications

Sinónimos
N-pentanoyl 2-benzyltryptamine | Q27077041 | HMS3267D11 | Pentanoic acid [2-(2-benzyl-1H-indol-3-yl)-ethyl]-amide | DTXSID90392749 | BRD-K06014311-001-01-2 | SR-01000597373 | NCGC00025049-01 | N-(2-(2-Benzyl-1H-indol-3-yl)ethyl)pentanamide | J-019556 | HM
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Tipo de acción
ANTAGONIST
Nombres e identificadores
Sonrisas canónicasCCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
IUPAC NameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
InChIKeyHDOIPCLEKCEANF-UHFFFAOYSA-N
INCHI1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
Isómeros SMILES CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
CAS alternativo 343263-95-6
Términos de entrada MeSH DH 97;DH97;N-pentanoyl-2-benzyltryptamine
Peso molecular 334.46
Reaxy-Rn 8578185
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8578185&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseIndoles and derivatives
SubclassIndoles
Intermediate Tree Nodes Not available
Direct Parent3-alkylindoles
Alternative Parents Substituted pyrroles  N-acyl amines  Benzene and substituted derivatives  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3-alkylindole - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Substituted pyrrole - Benzenoid - Fatty acyl - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MTNR1B Tclin Melatonin receptor type 1B (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadSoluble in DMSO (100 mM).
Índice de refracciónn20D1.61 (Predicted)
Punto de ebullición (°C)580.06° C at 760 mmHg (Predicted)
Punto de fusión (°C)232.45° C (Predicted)
Peso molecular334.500 g/mol
XLogP34.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass334.205 Da
Monoisotopic Mass334.205 Da
Topological Polar Surface Area44.900 Ų
Heavy Atom Count25
Formal Charge0
Complexity405.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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