Go 7874 - Moligand™ , Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptor;Allosteric modulator of M 3 receptor;Allosteric modulator of M 4 receptor, CAS No.153207-86-4, Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptor;Allosteric modulator of M 3 receptor;Allosteric modulator of M 4 receptor
Go 7874 - Moligand™ , Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptor;Allosteric modulator of M 3 receptor;Allosteric modulator of M 4 receptor, CAS No.153207-86-4, Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptor;Allosteric modulator of M 3 receptor;Allosteric modulator of M 4 receptor
GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.
External Descriptors
Not available
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.
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire
470.500 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
470.195 Da
Monoisotopic Mass
470.195 Da
Topological Polar Surface Area
88.700 Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
853.000
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
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Application Protocols
No vendor-tested application protocols are provided in the Product Data. The following is a generic, non‑validated workflow commonly used for small‑molecule screening compounds.
Preparation of DMSO stock (general)
Equilibrate vial to room temperature (to avoid moisture condensation). Open briefly in a dry environment.
Add anhydrous DMSO to achieve 10–50 mM target concentration (mass-based calculation from CoA MW if available).
Vortex and sonicate as needed. If particulates remain, warm gently (≤40°C) and/or filter through 0.2 µm PTFE.
Assay plate dilution (general)
Prepare intermediate dilutions in DMSO or assay buffer to minimize serial dilution error.
Dispense into assay buffer to reach desired final concentration, keeping organic solvent constant (≤0.5–1% v/v).
Include vehicle controls and, if available, positive/negative reference ligands.
Storage of working solutions
Aliquot stock to minimize freeze–thaw. Store sealed, desiccated, and protected from light if chromophoric.
Notes
Confirm stability and lack of aggregation (e.g., detergent sensitivity, light scattering) under assay conditions.
All steps should be adapted based on the actual molecular weight, solubility, and stability from the CoA/SDS.
Biological Roles
Item-specific biological function
No biological role or target assignment is provided in the Product Data for this item. Do not infer pharmacology from the catalog name alone; verify structure and consult primary literature only after confirming identity from the CoA.
General considerations for small-molecule library members (research context)
Such compounds serve as chemical probes or ligands in target identification, validation, and pathway mapping experiments.
They may be used to generate preliminary structure–activity relationships (SAR) when combined with close analogs.
Common assay modalities: enzyme inhibition/activation panels, receptor binding/competition assays, reporter gene assays, and thermal shift measurements (DSF/CPM).
Off-target awareness
Without a defined target, broad profiling (e.g., kinase or GPCR mini-panels, or CETSA across cell lysates) can reveal potential engagement, but results should be interpreted cautiously and reproduced with orthogonal methods.
Data stewardship
Link all biological readouts to a confirmed lot and identity trace (CoA, LC–MS), and document solvent composition and final concentrations rigorously to ensure reproducibility.
No clinical or therapeutic claims are made. This product is intended strictly for research use only, as stated in the Product Data.
Buffer Applications
This material is not a buffer reagent. No buffering capacity or pKa set is provided in the Product Data.
Applicability
Not typically used to prepare buffers. Instead, it may be dissolved in DMSO or miscible organic solvents and subsequently diluted into biological buffers for assays.
Practical guidance for assay buffers (general)
Common assay buffers: HEPES (pH 7.4), Tris (pH 7.5–8.0), PBS (pH 7.2–7.4). Maintain constant ionic strength and detergent levels (if used) across all wells/conditions.
Keep final organic solvent (e.g., DMSO, ethanol) constant and as low as possible (≤0.5–1% v/v) to avoid solvent-related artifacts.
Add 0.01–0.05% nonionic detergent (e.g., Tween 20) if nonspecific adsorption or aggregation is suspected; verify compatibility.
Stability checks
Confirm the compound’s stability in your buffer of choice over the assay timeframe by LC–MS/UPLC.
All buffer-specific values (pKa, pH range) for the compound itself are not applicable or not specified.
Green Alternatives
Green chemistry considerations for handling small-molecule screening compounds focus mainly on solvent choice and waste minimization rather than substitution of the compound itself.
Preferred solvents for preparation and workup (general)
Replace DMF/DCM where possible with ethanol, isopropanol, ethyl acetate, or acetonitrile (noting ACN’s toxicity but better environmental profile than chlorinated solvents).
For assay dilution, use aqueous buffers with minimal DMSO (≤0.5–1% v/v) while maintaining solubility.
Comparison (general solvent considerations)
DMSO: excellent solvency; low volatility; biodegradable but can enhance dermal uptake—manage exposure carefully.
Ethanol/iPrOH: renewable routes available; good for cleaning and intermediate dilutions.
EtOAc: greener extraction/cleanup solvent vs DCM; immiscible with water.
Operational green practices
Miniaturize assays (low µL volumes) to reduce solvent consumption and waste.
Use sealable low-dead-volume plates/vials to limit evaporative losses and repeat dissolutions.
Segregate halogenated vs non‑halogenated waste streams for optimized disposal.
Notes specific to this item
No alternative “greener analog” of the molecule itself is defined because the structure/functional class is not specified in the Product Data.
Where specific solvent restrictions apply to your assay or EHS policies, prioritize bio-based alcohols and aqueous systems where compatible with compound solubility and stability.
Pharmaceutical Uses
Item-specific status
No pharmacopeial status, excipient role, or formulation use is provided in the Product Data. This product is supplied for research use only.
General notes (research context only; no clinical use)
Small molecules in screening collections may be evaluated for developability attributes (solubility, permeability, stability) during early discovery. Such evaluations are pre-formulation research and do not imply suitability for human or veterinary use.
If formulation-like studies are desired (e.g., to support in vitro ADME), typical vehicles include aqueous buffers with ≤1% DMSO, or cosolvent systems (e.g., PEG400/saline) for preclinical method development. Any in vivo or clinical application is outside the permitted use scope of this product.
Documentation
No monograph alignment (USP/EP/JP) or GMP status is indicated; do not use in manufacturing or clinical settings.
For all practical purposes, treat this item solely as a research ligand/compound with no approved pharmaceutical application.
Physical Properties
The Product Data provided does not contain physicochemical specifications for this item. Do not assume values; consult the batch CoA and SDS.
Item-specific specifications
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point / boiling point: Not specified for this item; refer to CoA/Spec Sheet.
Density / refractive index: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule screening compounds (literature/general)
Stock solutions are commonly prepared at 10–50 mM in anhydrous DMSO due to its broad solubilizing power for heteroaromatics and drug-like scaffolds.
If water solubility is limited, co‑solvent systems (e.g., DMSO→buffer dilution at ≤1% v/v final DMSO), or cosolvents like ethanol or acetonitrile, are typical.
For solids, differential scanning (mp determination) and LC–MS/UPLC are preferred for quick quality checks.
Practical notes
Perform a small solubility screen (DMSO, MeOH, ACN, PBS with ≤1% DMSO) before high-throughput assays.
Filter or centrifuge stock prior to microplate dispensing to avoid precipitate artifacts.
All numerical property values not explicitly listed remain: Not specified for this item; refer to CoA/Spec Sheet.
Quality and Grades
Item-specific grade
Grade: Moligand™ (as provided). This denotes a small‑molecule ligand/compound suitable for screening, SAR exploration, and target discovery in research settings. It emphasizes identity and usability for biochemical/biophysical assays rather than chromatographic solvent grades.
What Moligand™ typically implies (general description)
Intended for research use in ligand/compound libraries, hit validation, and probe development workflows.
Supplied with identity and purity documentation on the CoA (e.g., LC–MS, HPLC/UPLC area %). Exact purity thresholds, residual solvent limits, or metal content are batch‑dependent and should be verified on the CoA.
UV/fluorescence behavior
Low-UV or fluorescence background is not guaranteed for Moligand™ items; confirm compatibility with detection modality (e.g., absorbance at assay wavelength).
Stabilizers and additives
Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
What is not specified for this item
Exact purity assay method and value, water content (KF), residual solvents, and detailed analytical limits: Not specified for this item; refer to CoA/Spec Sheet.
Recommendations
For screening, document lot and CoA in data records.
If needed for quantitative biophysics, independently confirm purity (qNMR/UPLC) and counter‑ion/solvate state.
Reaction and Applications
This product is categorized as a small-molecule entry in a ligand/compound library. No manufacturer application text is provided; the following describes typical research uses for Moligand™-grade small molecules.
Cellular assays to explore pathway modulation, structure–activity relationships (SAR), and phenotypic outcomes.
Reference control or comparator molecule in mechanistic studies when identity aligns with known chemotypes.
Practical use notes
Prepare concentrated DMSO stocks (e.g., 10–50 mM), confirm solubility, and avoid precipitation upon aqueous dilution.
Evaluate redox/light/hydrolysis stability with quick checks (UPLC at 0, 24, 48 h in assay media).
Include solvent-only controls at the highest DMSO% used.
Not typically used as a synthetic reagent
Unless specifically designed as a building block, library compounds like this are generally not employed as stoichiometric reagents in transformations.
Data integrity
Record lot number, storage history, and dispense logs; confirm concentration by UV, qNMR, or gravimetry for quantitative studies.
Item-specific mechanistic applications are not provided; consult primary literature only after verifying exact structure from the CoA.
Reaction Conditions
No item-specific reaction conditions apply because the compound is supplied as a research ligand/screening molecule rather than a reagent or catalyst.
If using the compound in assays (general operational conditions)
Stock preparation: 10–50 mM in anhydrous DMSO; sonication or mild warming (≤40°C) may aid dissolution.
Assay dilution: Target ≤0.5–1% v/v organic solvent in final assay media; include matched solvent controls.
Stability: Monitor by LC–MS/UPLC over the assay window (0–48 h) in relevant media and light conditions (wrap in foil if chromophore suspected).
If derivatization is attempted (general, literature-based)
Solvents: DMF, DMSO, MeCN, toluene, or alcohols depending on functional groups identified by CoA/NMR.
Temperatures: Ambient to 100°C (oil bath or sealed-vessel microwave) as dictated by transformation; confirm thermal stability first (DSC/TGA).
Because functional groups are not specified, do not apply the above conditions without verifying compatibility. All specific reaction parameters for this item are: Not specified for this item; refer to CoA/Spec Sheet.
Safety and Handling
Safety classification specifics are not provided in the Product Data; always consult the SDS for authoritative information.
GHS information (item-specific)
Signal word: Not specified for this item; refer to SDS.
Hazard statements (H‑codes): Not specified for this item; refer to SDS.
Pictograms and GHS classification: Not specified for this item; refer to SDS.
General laboratory precautions (best practice for small-molecule organics)
Use in a chemical fume hood; avoid inhalation and skin/eye contact.
PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Change gloves regularly when handling DMSO stocks.
Avoid ingestion; do not pipette by mouth. Wash hands thoroughly after handling.
Handling notes
For DMSO solutions, remember DMSO can enhance dermal absorption—minimize skin exposure.
Prevent cross‑contamination in screening collections by using clean tips and minimizing freeze–thaw cycles.
First-aid (overview; defer to SDS)
Skin/eye contact: Rinse with water for ≥15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
Inhalation: Move to fresh air; seek attention if symptoms occur.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Incompatibilities and stability
Specific incompatibilities: Not specified for this item; refer to SDS.
Keep away from strong oxidizers and strong acids/bases unless compatibility is known.
Always consult the current SDS for your lot before use.
Solvent Selection
Given the absence of item‑specific solubility data, begin with a pragmatic solvent screen appropriate for diverse small molecules.
Primary stock solvent (general practice)
DMSO (anhydrous) at 10–50 mM is the default for most screening compounds due to broad solvating power and biological assay compatibility at ≤0.5–1% v/v.
Secondary solvents to evaluate (literature/general)
Methanol, ethanol, acetonitrile: good for many heteroaromatics; miscible with water, easy to remove.
Isopropanol: gentler on plastics; slower evaporation.
DMF: strong solvent; use cautiously in bioassays (cytotoxicity at low %).
Aqueous buffers (PBS, HEPES) with 0.1–1% DMSO or small amounts of co-solvent for titrations.
Decision factors
Assay tolerance to solvent (% v/v max), compound stability (avoid hydrolysis/oxidation), and precipitation risk upon dilution.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General storage guidance for small-molecule solids
Keep tightly closed in original container, desiccated, and protected from light. Avoid prolonged exposure to ambient humidity.
On first opening, equilibrate to room temperature before unsealing to prevent moisture condensation.
Reconstitution (general)
Preferred solvent: Anhydrous DMSO for concentrated stocks (e.g., 10–50 mM), unless CoA indicates better solvents.
Technique: Vortex/sonicate; if needed, warm gently (≤40°C). Filter through 0.2 µm PTFE if particulates persist.
Record exact mass and final volume to compute concentration; label aliquots with concentration, solvent, date, and lot.
Working solution handling
Minimize freeze–thaw by preparing single‑use aliquots. For DMSO stocks, store at ambient or 2–8°C if recommended by stability data; avoid water ingress.
Upon dilution into aqueous buffers, use promptly; many compounds can precipitate or degrade over hours to days depending on structure.
Disposal
Follow institutional guidelines for organic chemical waste; segregate halogenated from non‑halogenated streams.
Any additional, compound-specific stability or reconstitution instructions are: Not specified for this item; refer to CoA/Spec Sheet.
Structure and Identity
Brief overview: This item is supplied as a small-molecule entry in a screening/ligand collection. The specific structural identifiers are not included in the Product Data provided here.
Item-specific identifiers (from Product Data)
CAS: 153207-86-4
Product name: Go 7874 (catalog name)
Grade: Moligand™
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
InChIKey: 250890 (as provided; format appears non-standard—verify against CoA/SDS)
PubChem CID: 3500 (as provided; verify identity match before use)
Structural features (general guidance)
Functional groups, ring systems, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
2D description in words: Not specified for this item; refer to CoA/Spec Sheet.
Identity confirmation (recommended practice)
Cross-verify CAS, InChIKey/SMILES, and name prior to critical experiments.
If available, check NMR/LC–MS in the CoA to confirm purity and identity.
For screening use, retain batch-specific CoA linking CAS, lot number, and analytical data.
Note: All item-specific structural fields not present above should be taken from the CoA/Spec Sheet; do not substitute third‑party database entries without verification.
Synthetic Utility
Applicability to synthesis
As supplied, this product is positioned as a library/ligand compound (Moligand™). Such materials are generally not used as synthetic building blocks unless their structure contains obvious functional handles and the CoA specifies suitable purity for synthesis. The Product Data does not provide functional group information; therefore, no specific synthetic roles can be assigned.
General considerations (if repurposed)
Should you intend to derivatize the molecule, first confirm functional groups (e.g., halides, amines, acids) via NMR/LC–MS and assess stability under coupling conditions.
Protecting-group strategy, chemoselectivity, and scalability should be evaluated on milligram scale before committing valuable material.
Common transformations for drug-like scaffolds (literature/general)
Amide couplings (HATU/EDC), Suzuki/Negishi cross-coupling (if aryl halides/boronates present), N- or O-alkylations (if heteroatoms are available), and late-stage C–H functionalization are typical routes for analog generation.
Caveats
Purity, counter-ion/solvate state, and residual solvent levels (not provided here) can impact reaction outcomes; confirm via CoA and in-house analytics.
Without the explicit structure, treat this compound as a finished probe rather than a synthetic intermediate.
Target Specificity
Target, binding site, and selectivity information are not provided in the Product Data for this item.
Item-specific details
Assigned target(s), potency (IC50/Kd), and selectivity profile: Not specified for this item; refer to CoA/Spec Sheet or primary literature after confirming structure.
General recommendations for determining specificity (research practice)
Use orthogonal assays (biochemical inhibition, biophysical binding such as SPR/MST/ITC, and cellular readouts) to triangulate on-target activity.
Run counter-screens against common off-target panels relevant to your target class (e.g., kinases, GPCRs, CYPs) to assess selectivity.
Incorporate negative controls and inactive analogs when available.
Data quality
Report solvent composition, protein construct, substrate/cofactor concentrations, and incubation times to ensure comparability across labs.
No claims are made regarding biological targets or therapeutic relevance. This product is for research use only.
Foire aux questions
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 153207-86-4. InChIKey NYBAPNLYWRMTJL-UHFFFAOYSA-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.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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