[³H]relcovaptan - Moligand™ , Oxytocin receptor antagonist, CAS No.H614218, Oxytocin receptor antagonist

CAS: H614218 Cat. No.: H614218 PubChem CID: 60943

GRADE & PURITY Moligand™

Synonyms

1-[5-Chloro-3-(2-chloro-phenyl)-1-(3,4-dimethoxy-benzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]-pyrrolidine-2-carboxylic acid amide | BDBM50114031 | (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-d

Storage

Room temperature

Specifications

Sinonimi

1-[5-Chloro-3-(2-chloro-phenyl)-1-(3,4-dimethoxy-benzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]-pyrrolidine-2-carboxylic acid amide | BDBM50114031 | (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-d

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Oxytocin receptor antagonist

Nomi e identificatori

• Sorrisi canonici: COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl
• IUPAC Name: (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy2H-indole-2-carbonyl]pyrrolidine-2-carboxamide
• InChIKey: CEBYCSRFKCEUSW-NAYZPBBASA-N
• INCHI: 1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
• Isomeri SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N2[C@H]([C@](C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCC[C@H]5C(=O)N)OC
• PubChem CID: 60943

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Proline and derivatives Alpha amino acid amides Indolecarboxylic acids and derivatives Benzenesulfonamides Dimethoxybenzenes Benzenesulfonyl compounds Anisoles Pyrrolidinecarboxamides N-acylpyrrolidines Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Sulfonyls Tertiary alcohols Primary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Proline or derivatives - Alpha-amino acid amide - Indolecarboxylic acid derivative - Dimethoxybenzene - O-dimethoxybenzene - Alpha-amino acid or derivatives - Benzenesulfonamide - Indole or derivatives - Benzenesulfonyl group - Phenoxy compound - Methoxybenzene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Phenol ether - N-acylpyrrolidine - Anisole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Organosulfonic acid amide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Pyrrolidine - Tertiary alcohol - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Organosulfur compound - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

Obiettivi associati (umani)

AVPR1A Tclin Vasopressin V1a receptor (11 Activities)

Discover Target: AVPR1A

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

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

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

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

Discover Target: AVPR2

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

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

Discover Target: AGTR1

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

AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

Discover Target: AVPR1A

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

Discover Target: S1PR1

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

Discover Target: C5AR1

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

Homo sapiens (32628 Activities)

Explore this target

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

U2OS (164939 Activities)

Explore this target

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

CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

Discover Target: CX3CR1

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

FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

Discover Target: FPR2

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

FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

Discover Target: FFAR4

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

Discover Target: GPR35

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

HEK-293T (167025 Activities)

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

Obiettivi associati (non umani)

Cruzipain (33337 Activities)

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

Aplnr Apelin receptor (201 Activities)

Discover Target: Aplnr

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

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

Discover Target: Gpr119

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

SARS-CoV-2 (38078 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 620.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 619.095 Da
• Monoisotopic Mass: 619.095 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 1090.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Application Protocols

Only protocols explicitly validated for this SKU should be listed here; none are provided in the current Product Data.

• Tested applications and recommended dilutions: Not provided for this item.
• Positive controls/standards: Not provided for this item.

Note: While general radioligand binding workflows are described in other sections, users should develop and validate protocols appropriate to their systems and consult the CoA/label for any item‑specific instructions.

Biological Roles

Literature/general context (parent target and ligand)

• Target: Vasopressin V1a receptor (AVPR1A), a class A GPCR that couples primarily to Gq/11, activating phospholipase C and intracellular Ca²⁺ signaling upon arginine vasopressin binding.
• Ligand: Relcovaptan is a nonpeptide antagonist of AVPR1A used in research to block vasopressin signaling selectively and to map receptor distribution/occupancy.
• Research applications
  • Receptor pharmacology: defining AVPR1A density (Bmax) and affinity states in recombinant and native systems.
  • Signal transduction: correlating receptor occupancy with downstream second‑messenger responses (e.g., IP₃/Ca²⁺ assays) using orthogonal, nonradioactive readouts.
  • Selectivity profiling: competitive binding against oxytocin receptor (OXTR) or vasopressin V1b/V2 receptors to determine selectivity margins (requires appropriate counter‑screens).
  • Tissue mapping: ex vivo autoradiography to localize AVPR1A in relevant tissues.

Item-specific biological data (affinity, selectivity, Kd, Bmax for this lot/SKU): Not specified for this item; refer to CoA/Spec Sheet.

Note: All uses are for research only. No clinical or diagnostic use is implied.

Buffer Applications

This product is not a classical pH buffer. However, buffer composition is critical for radioligand binding assays employing [³H]relcovaptan (general guidance).

• Common binding buffers (literature/best practice)

  • HEPES or Tris‑HCl, 20–50 mM, pH 7.4.
  • Salts: 100–150 mM NaCl or optimized ionic strength to mimic physiological conditions.
  • Divalent cations: 1–2 mM MgCl₂ can stabilize GPCR–G protein interactions in some systems.
  • Protein additives: 0.1–0.5% fatty‑acid‑free BSA to reduce nonspecific adsorption.
  • Detergents: 0.01% nonionic detergents (e.g., Pluronic F‑127) if stickiness to plastics is problematic; avoid if it perturbs binding.

• Filtration assays

  • Pre‑soak GF/C filters in 0.3% PEI to minimize nonspecific binding of radioligand.
  • Wash buffer: ice‑cold assay buffer without ligand; rapid washes minimize dissociation.

• Compatibility cautions

  • Keep final organic cosolvent (DMSO/EtOH) at ≤1% v/v.
  • Avoid phosphate in systems where precipitation with divalent cations occurs or where it reduces binding signals (empirically determined).

Item-specific recommended buffer composition for this SKU: Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

While radioligands remain a gold standard for quantitative receptor binding, alternatives can reduce radioactive waste and regulatory burden. Selection depends on assay sensitivity, throughput, and target biology.

• Nonradioactive tracer options (general)

  • Fluorescent ligands (e.g., BODIPY-, Alexa‑, or NBD‑tagged relcovaptan analogs) enable TR-FRET, HTRF, or fluorescence anisotropy assays without radioactivity; may alter binding due to bulky dyes and can increase nonspecific signal.
  • Bioluminescence resonance energy transfer (BRET) probes or NanoBRET tracers allow live‑cell target engagement with excellent sensitivity but require tagged receptors.
  • Surface plasmon resonance (SPR) or biolayer interferometry (BLI) quantify kinetics label‑free on purified receptor preparations or nanodiscs; membrane GPCRs can be challenging to immobilize.
  • Mass‑spectrometry‑based binding/occupancy assays avoid labels entirely but require specialized instrumentation and method development.

• Tradeoffs

  • Sensitivity: [³H] binding with LSC is extremely sensitive at low ligand concentrations; optical methods may need higher tracer levels.
  • Throughput: Homogeneous fluorescence/HTRF can be higher throughput than filtration‑based radioligand binding.
  • Waste and compliance: Nonradioactive methods reduce waste streams and training requirements.

• Practical pathway

  • Use [³H]relcovaptan for primary Kd/Ki benchmarking and to anchor SAR. Consider transitioning mature assays to fluorescent/BRET tracers for HTS if equivalent rank‑order potency is demonstrated.

For this SKU, item‑specific details about stabilizers or green solvent content are not specified; consult CoA if this is part of your green chemistry assessment.

Pharmaceutical Uses

Formulation/processing context only (no medical claims)

• Role in R&D: [³H]relcovaptan serves as a quantitative tracer for AVPR1A occupancy in preclinical research, supporting SAR, receptor occupancy modeling, and candidate selection workflows.
• Excipient status/pharmacopeia: Not applicable; this is a research‑use radioligand, not an excipient or clinical API.
• Manufacturing/QA notes: Radioligands are typically handled under research QA systems with chain‑of‑custody for activity calibration and decay tracking. Maintain records of lot‑specific activity, calibration date, and storage conditions.

Item-specific regulatory designations or pharmacopeial compliance: Not specified for this item; refer to CoA/Spec Sheet.

Research Use Only: As provided by the manufacturer, this material is for research use only.

Physical Properties

Item-specific (Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Other specifications (bp, mp, density, solubility, UV cutoff, specific activity, radiochemical purity): Not specified for this item; refer to CoA/Spec Sheet.

Literature/general properties (parent relcovaptan; non‑specification, for context only)

• Physical state: typically a lipophilic organic solid for the unlabeled compound (literature).
• Solubility: common practice is dissolution in DMSO or ethanol for stock solutions; aqueous solubility is limited without cosolvent or surfactant (literature).
• Partitioning: expected high logP consistent with GPCR antagonists; exact value varies by source (literature).

Practical notes for radioligands (general)

• [³H]-labeled compounds are frequently provided in an organic solvent (e.g., ethanol, toluene, or aqueous ethanol) at low concentration to maintain stability (literature). This item’s exact solvent, concentration, and specific activity are not specified here—consult the item label and CoA.
• Protecting from adventitious adsorption to plastics and minimizing evaporative losses improves reproducibility when handling low-activity stocks (general best practice).

Quality and Grades

• Item-specific (Product Data)

  • Grade/Purity: Moligand™.
  • Item-specific purity metrics (radiochemical purity, % unlabeled, specific activity, stabilizers, residual solvents, water, metals, UV profile): Not specified for this item; refer to CoA/Spec Sheet.

• What Moligand™ implies (general context)

  • Moligand™ offerings are positioned for ligand screening, target engagement studies, and library applications. For radioligands, typical QC elements include identity of the parent scaffold, radiochemical purity by radio‑HPLC/TLC, and assessment of isotope incorporation; however, the exact tests for this SKU are not specified here and should be confirmed on the CoA.
  • Practical implication: Suitable for receptor binding assays, competition and saturation studies, and other discovery workflows where reliable target engagement readouts are required.

• Stabilizer/solvent considerations

  • Radioligands may be supplied in ethanol or mixed solvents with antioxidants to minimize radiolysis (general). For this SKU, the presence/absence of stabilizers and the exact solvent system are not specified; consult CoA/label.

• Documentation

  • For auditability, record lot number, calibration date, and specific activity from the vial label/CoA when setting up assays. If your workflow requires low UV background (e.g., HPLC monitoring), verify solvent purity on the CoA.

Reaction and Applications

This product is a radiolabeled ligand intended for biochemical/pharmacological assays rather than as a synthetic reagent.

Applicable uses (research, literature/general)

• Saturation binding to determine Bmax and Kd for AVPR1A in membrane preparations or intact cells expressing the receptor.
• Competition binding to quantify Ki/IC50 values of test ligands against [³H]relcovaptan, leveraging equilibrium or kinetic binding paradigms.
• Kinetic binding (association/dissociation) to extract kon/koff and residence time using time‑course sampling and rapid filtration methods.
• Autoradiography of tissue sections expressing AVPR1A, where permitted, to map receptor distribution ex vivo.
• Ligand discovery workflows: ranking and SAR optimization by competitive binding shifts.

Practical tips (general best practice)

• Work at radioligand concentrations near or below the expected Kd to maximize sensitivity in competition assays.
• Include nonspecific binding controls (e.g., excess unlabeled relcovaptan) to define specific signal.
• Use low‑binding plastics or glass, pretreated with assay buffer containing 0.1% BSA, to reduce adsorption.
• Validate equilibrium time; many GPCR radioligands reach equilibrium within 30–120 min at room temperature or 37°C, but confirm for your system.
• Quantify bound/free via rapid filtration onto GF/C or PEI‑treated filters and count by liquid scintillation.

Item-specific assay conditions, Kd, and specific activity are not specified for this SKU—consult the CoA and optimize empirically for your biological system.

Reaction Conditions

Not typically applicable for chemical synthesis. However, assay “reaction” conditions for radioligand binding with [³H]relcovaptan are relevant (general literature guidance; not item‑specific specifications):

• Temperature and time
  • Equilibrium binding often conducted at room temperature or 30–37°C; incubation 30–120 minutes depending on membrane prep and receptor density.
• Ligand concentrations
  • Saturation: 6–10 concentrations spanning ~0.1–10× the expected Kd.
  • Competition: Fixed tracer near Kd with serial dilutions of competitor to determine IC50, then convert to Ki with the Cheng–Prusoff equation.
• Separation/detection
  • Rapid vacuum filtration onto GF/C filters (pretreated with 0.3% PEI) or SPA (scintillation proximity assay) beads to separate bound from free.
  • Counting by LSC with appropriate cocktail and quench correction.
• Controls
  • Nonspecific binding defined by excess unlabeled relcovaptan.
  • Internal standards and replicate wells for QC.

Item-specific Kd, specific activity, radiochemical purity, and recommended membrane sources: Not specified for this item; refer to CoA/Spec Sheet.

Safety and Handling

Item-specific (Product Data)

• GHS Classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / Pictograms: Not specified for this item; refer to SDS.
• Storage conditions: Room temperature (as provided). Follow local radiation‑safety program requirements.

General safety guidance for tritiated compounds ([³H]; literature/best practice)

• Radiation type: Low‑energy beta emitter (max ~18.6 keV). External exposure risk is low; primary hazards are ingestion, inhalation, skin absorption, and contamination.
• Controls: Work in designated radioisotope areas with contamination monitoring. Use secondary containment, absorbent bench pads, and dedicated tools.
• PPE: Lab coat, double nitrile gloves (change frequently), eye protection. Avoid open handling that can aerosolize or splash.
• Shielding/waste: Acrylic or minimal shielding is usually sufficient; avoid high‑Z shields that create bremsstrahlung. Collect solid/liquid waste in appropriately labeled ³H containers per institutional and regulatory rules.
• Spill/first aid (overview): For small spills, contain with absorbent, monitor with a liquid scintillation counter (LSC) wipe test, and decontaminate surfaces with suitable detergents. For skin contact, wash thoroughly with soap/water and monitor. Seek RSO guidance. For ingestion/inhalation, follow institutional emergency procedures.
• Chemical hazards: Relcovaptan as an organic small molecule may pose typical solvent/irritant risks when formulated in organic carriers; review SDS for solvent system and toxicology.

Always defer to the product SDS, institutional radiation safety officer (RSO), and applicable regulations for authoritative guidance.

Solvent Selection

Item-specific (Product Data)

• Supplied solvent, concentration, and stabilizers: Not specified for this item; refer to CoA/label.

Literature/general guidance for relcovaptan radioligand handling

• Preferred stock solvents: DMSO or ethanol are commonly used for the unlabeled parent; radioligands are often provided in ethanol or aqueous ethanol for stability (literature). Validate compatibility with your assay (cells/membranes vs. purified protein) and keep final organic content low (e.g., ≤1% v/v) to avoid perturbing receptors.
• Polarity/miscibility profile: DMSO and ethanol are fully miscible with water; staged dilution (DMSO → aqueous buffer containing 0.1% BSA) reduces precipitation and adsorption losses (best practice).
• Adsorption mitigation: Include carrier protein (0.1–0.5% fatty‑acid‑free BSA) or a small amount of nonionic detergent (e.g., 0.01% Pluronic F‑127) if nonspecific binding to plastics is observed (general).

Comparison (general)

• Ethanol carriers
  • Pros: Lower viscosity, easy pipetting, compatible with LSC cocktails.
  • Cons: Volatile; can evaporate and change activity concentration if vials are left open.
• DMSO carriers
  • Pros: Minimal volatility; excellent solubilization.
  • Cons: Cytotoxic at higher %; can affect membrane integrity—keep ≤0.5–1% v/v in final assay.

Always confirm the supplied solvent system and concentration from the product label before use.

Storage and Reconstitution

Item-specific (Product Data)

• Storage conditions: Room temperature.
• Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance and formulation: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (radioligands; not item‑specific)

• Protect from unnecessary heat and light to minimize radiolysis; keep vials tightly capped to prevent solvent loss when carriers are volatile (e.g., ethanol).
• Record calibration date and decay‑correct activity as needed for quantitative assays.
• Reconstitution/dilution: If supplied as a concentrate, prepare intermediate stocks in ethanol or DMSO, then dilute into assay buffer containing 0.1% BSA to reduce adsorption. Final organic content should be ≤1% v/v unless your assay tolerates more.
• Aliquoting: Prepare small working aliquots to minimize repeated vial openings and adsorption losses.

Any lot‑specific instructions on solvent, concentration, and stabilizers will be provided on the item label or CoA. Always follow those directions in preference to general guidance.

Structure and Identity

Brief overview: [³H]relcovaptan is the tritium-labeled form of the small‑molecule vasopressin V1a receptor (AVPR1A) antagonist relcovaptan, supplied here as a Moligand™ screening/ligand product for research use.

• Item-specific (Product Data)

  • SKU: H614218
  • Product name: [³H]relcovaptan
  • Grade/Purity: Moligand™
  • InChIKey: 41839 (as provided)
  • CAS: H614218 (catalog identifier as provided)
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
  • PubChem CID: 60943 (relcovaptan, unlabeled; literature reference)

• Literature/general identity notes (for the unlabeled parent, relcovaptan)

  • Compound class: nonpeptide small‑molecule antagonist of the vasopressin V1a receptor (AVPR1A).
  • Isotopic label: [³H] indicates replacement of one or more hydrogen atoms with tritium for use as a radioligand in binding assays.
  • Structural features (general): lipophilic aromatic-rich scaffold typical of nonpeptide GPCR antagonists; exact atom-level placement of ³H depends on labeling chemistry (not specified for this item).

• 2D structure description (general)

  • The parent relcovaptan features multiple aromatic rings and heteroatoms forming a rigid, hydrophobic framework suited for high-affinity GPCR binding; the [³H] label resides on a hydrogen-bearing carbon in the aromatic/aliphatic portion depending on synthesis route (labeling site not specified for this item).

Synthetic Utility

Not typically applicable. [³H]relcovaptan is intended as a radiolabeled tracer for receptor binding assays rather than as a building block or reagent.

General notes (literature)

• Radiochemical synthesis of [³H]relcovaptan (not provided here) commonly involves catalytic tritiation or tritium–hydrogen exchange on a suitable precursor, or introduction of a tritiated substituent followed by purification by radio‑HPLC. These routes are relevant to radiochemistry development, not end‑user applications.

For preparative organic synthesis or medicinal chemistry campaigns, use the unlabeled relcovaptan or its synthetic intermediates; this radiolabeled SKU is not intended for transformations.

Target Specificity

Item-specific, from Product Data

• Target, epitope, species reactivity, clone/isotype: Not provided for this item.

General literature context

• The parent ligand relcovaptan is widely used as a selective antagonist for the vasopressin V1a receptor (AVPR1A). When used as a radioligand, [³H]relcovaptan typically reports specific binding to AVPR1A in systems expressing this receptor. Actual selectivity margins versus OXTR, V1b, and V2 must be established experimentally in your assay.

For authoritative, lot‑specific target binding characteristics, consult the CoA/Spec Sheet and perform in‑house validation.