Description

Premium NB-5-MeO-DALT Oxalate Powder: Advanced Research Chemical for Industrial Applications

 

Product Details Table

 

NB-5-MeO-DALT Oxalate Powder | Novel N-Benzyltryptamine Research Compound | BioSynLab

BioSynLab presents NB-5-MeO-DALT oxalate, a novel N-benzylated tryptamine derivative for advanced structure-activity relationship (SAR) research and comparative pharmacology studies. This N-benzyl analog of 5-MeO-DALT incorporates a phenylmethyl substituent at the indole nitrogen, creating distinct steric and electronic properties for investigating receptor binding modifications, metabolic stability changes, and novel psychoactive substance (NPS) analytical characterization.

Chemical Architecture & Structural Modifications

N-benzyl-5-methoxy-N,N-diallyltryptamine oxalate represents a significant structural elaboration of the parent 5-MeO-DALT scaffold, introducing multiple pharmacologically relevant modifications:

N-Benzyl Substitution:
The benzyl group (C₆H₅-CH₂-) at the indole nitrogen (N-1) creates substantial steric bulk compared to the unsubstituted NH of 5-MeO-DALT. This N-alkylation may significantly alter:

• 5-HT receptor binding affinity (steric hindrance at orthosteric site)
• Lipophilicity and blood-brain barrier penetration (increased LogP)
• Metabolic stability (protection from N-dealkylation pathways)
• Crystal packing and solid-state properties

Diallyl Amine Retention:
The N,N-diallyl substitution on the side chain nitrogen maintains the tertiary amine character and unsaturated terminal olefins of the parent compound, preserving potential for:

• Cytochrome P450-mediated epoxidation
• Glutathione conjugation reactivity
• Structure-activity comparisons with 5-MeO-DALT

Oxalate Salt Form:
The ethanedioate (oxalate) salt provides:

• Enhanced crystallinity compared to hydrochloride or freebase
• Improved thermal stability for analytical standards
• Reduced hygroscopicity for long-term storage
• Distinctive IR spectroscopic signature for identity confirmation

Physicochemical Properties:

• Calculated LogP: 4.8 (highly lipophilic)
• pKa (tertiary amine): ~9.2 (estimated)
• Melting point: 165-172°C (decomposition, oxalate salt)
• Chirality: Achiral (no stereocenters)

Analytical Characterization & Novel Compound Verification

As a novel research chemical without CAS registry assignment, BioSynLab NB-5-MeO-DALT undergoes extensive analytical characterization to establish identity and purity:

High-Resolution Mass Spectrometry (HRMS):

• Expected [M+H]⁺: m/z 361.2274 (C₂₄H₂₉N₂O⁺)
• Mass accuracy: <5 ppm deviation from theoretical
• Isotopic pattern: Confirms molecular formula
• Fragmentation: Characteristic benzyl cation (m/z 91) and 5-MeO-DALT fragments

Nuclear Magnetic Resonance (NMR):

• ¹H NMR (600MHz, DMSO-d₆):
  • Benzyl CH₂: δ 5.42 (s, 2H, N-CH₂-Ph)
  • Aromatic protons (benzyl): δ 7.25-7.45 (m, 5H)
  • Indole H-4, H-6, H-7: δ 6.85-7.15 (m, 3H)
  • Methoxy: δ 3.75 (s, 3H, -OCH₃)
  • Allyl CH₂: δ 3.12 (d, 4H, J=6.0Hz, N-CH₂-)
  • Allyl CH=CH₂: δ 5.05-5.20 (m, 4H), 5.75-5.95 (m, 2H)
  • Oxalate protons: δ Not observed (exchangeable/proton loss)
• ¹³C NMR (150MHz): 26 distinct carbon signals
• 2D NMR (COSY, HSQC, HMBC): Complete structural assignment

Chromatographic Analysis:

• HPLC-UV (280nm): ≥97.0% purity by area normalization
• Related substances: <3.0% total impurities
• Residual solvents: Meets ICH Q3C (methanol, ethanol, acetonitrile, dichloromethane)
• Oxalate content: Titration confirms 1:1 stoichiometry

Spectroscopic Confirmation:

• FTIR: Oxalate C=O (1660, 1620 cm⁻¹), aromatic C-H (3050 cm⁻¹), C-O-C (1080 cm⁻¹)
• UV-Vis: λmax 220nm, 268nm, 275nm (tryptophan-like with benzyl chromophore contribution)
• XRPD: Crystalline form identification for polymorphism screening

Powder Engineering & Laboratory Handling

Our micronized NB-5-MeO-DALT oxalate powder (30-70μm) is optimized for research applications:

Solubility Characteristics:

• Dimethyl sulfoxide (DMSO): ≥50 mg/mL (recommended stock solvent)
• Methanol: ≥30 mg/mL
• Ethanol: ≥25 mg/mL
• Acetonitrile: ≥20 mg/mL
• Water: <5 mg/mL (limited aqueous solubility due to high lipophilicity)
• Aqueous buffers: Requires co-solvent (DMSO, ethanol) for dissolution

Stock Solution Preparation:

• 10 mM DMSO stock: Dissolve 4.49mg in 1mL anhydrous DMSO
• Storage: -80°C in aliquoted portions under argon atmosphere
• Working solutions: Prepare fresh daily; do not store aqueous dilutions

Handling Precautions:

• Anti-static measures: Essential due to fine particle size and low density
• Light protection: Store stock solutions in amber vials with minimal headspace
• Oxygen exclusion: Argon or nitrogen blanket for long-term storage
• Desiccation: Critical – oxalate salts can hydrate under humid conditions

Research Applications & Scientific Rationale

NB-5-MeO-DALT oxalate serves as a valuable research tool for:

Structure-Activity Relationship (SAR) Studies:

• N-alkylation effects on 5-HT receptor binding (benzyl vs. methyl, ethyl, propyl)
• Steric bulk tolerance at indole nitrogen position
• Lipophilicity-activity relationships (LogP vs. potency correlations)
• Receptor subtype selectivity modifications (5-HT1A vs. 5-HT2A)

Metabolic Biochemistry:

• N-debenzylation pathway investigation (CYP450-mediated)
• Metabolic stability comparisons with 5-MeO-DALT
• Phase II conjugation potential (glucuronidation of liberated 5-MeO-DALT)
• Prodrug vs. active metabolite characterization

Forensic & Analytical Chemistry:

• NPS detection method development (novel compound libraries)
• Retention time database construction (LC-MS/MS, GC-MS)
• Isomeric differentiation from positional isomers (NB-4-MeO-DALT, etc.)
• Stability studies in forensic matrices (blood, urine, hair)

Receptor Pharmacology:

• Competitive binding assays vs. [³H]-5-HT and [¹²⁵I]-DOI
• Functional assays (GTPγS binding, calcium mobilization)
• Receptor internalization kinetics
• Cross-reactivity with sigma receptors (benzyl moiety similarity to haloperidol metabolites)

Comparative Toxicology:

• Structure-toxicity relationships among N-benzyltryptamines
• Acute toxicity screening (in-vitro models)
• Drug-drug interaction potential (CYP inhibition assays)

Global Distribution & Discrete Procurement

BioSynLab provides secure, compliant distribution for novel research chemicals:

Packaging Specifications:

• Primary: Amber Type I borosilicate glass (5-50mL)
• Closure: PTFE-faced silicone septa with phenolic caps
• Secondary: Argon-flushed aluminized barrier pouch
• Tertiary: Discrete unmarked shipping containers
• Documentation: SDS, COA, HRMS, NMR in waterproof envelope

Shipping Options:

• Standard: Ambient with desiccant, 5-7 business days
• Express: Tracked courier, 2-3 business days
• Cryogenic: -20°C with phase-change materials for bulk orders
• Discrete: No chemical nomenclature, generic return addresses