SR1001 - Moligand™, ≥98% , Agonist of RAR-related orphan receptor-α;Agonist of RAR-related orphan receptor-γ, CAS No.1335106-03-0, Agonist of RAR-related orphan receptor-α;Agonist of RAR-related orphan receptor-γ

CAS: 1335106-03-0 Cat. No.: S275957 Summenformel: C15H13F6N3O4S2 Molekulargewicht: 477.39 EG-Nummer: 802-874-6 PubChem CID: 44241473
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QUALITÄT & REINHEIT Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
A13193 | BS-14916 | HY-13421 | BDBM50444338 | SR-03000001001-1 | SR1001 | SR-1001 | DTXSID801348120 | N-(5-(N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)sulfamoyl)-4-methylthiazol-2-yl)acetamide | SCHEMBL2489597 | N-[5-[[4-(1,1,1,3,3,3-hexaflu
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
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Preis
Menge
5mg
S275957-5mg
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171,73€
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S275957-25mg
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100mg
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250mg
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Warum diese Qualität

Moligand™, ≥98% Moligand™ für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

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Lagerung & Versand

Store at -20°C,Desiccated Versand Ice chest + Ice pads. Genaue Spezifikationen finden Sie im chargenspezifischen COA.

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Literaturbeleg

In 0 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

Übersicht

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

SR1001 has been used for inhibiting retinoid-related orphan receptor-γ t (RORγT) activation in Itch−/− mice.

SR1001 has been used as retinoic-acid receptor (RAR)-related orphan nuclear receptor gamma (RORγt) inhibitor to study its effects on interleukin 17 (IL-17) expression in itch cells , as a RAR-related orphan receptor alpha (RORα)- inhibitor to study its effects on RORα-dependent transcription of glucose-6-phosphatase (G6Pase) .

Spezifikationen

Synonyme
A13193 | BS-14916 | HY-13421 | BDBM50444338 | SR-03000001001-1 | SR1001 | SR-1001 | DTXSID801348120 | N-(5-(N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)sulfamoyl)-4-methylthiazol-2-yl)acetamide | SCHEMBL2489597 | N-[5-[[4-(1,1,1,3,3,3-hexaflu
Spezifikationen & Reinheit
Moligand™, ≥98%
Biochemische und physiologische Mechanismen
Potent, selective RORα and RORγt inverse agonist (K i values are 172 and 111 nM for RORα and RORγ respectively). Suppresses IL-17 promoter driven transcriptional activity. Inhibits TRAP220 nuclear receptor box 2 peptide interaction (IC 50 = 117 nM).
Storage
Store at -20°C,Desiccated
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Aktionsart
AGONIST
Mechanismus der Wirkung
Agonist of RAR-related orphan receptor-α;Agonist of RAR-related orphan receptor-γ
Hinweis
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770326
Kanonisches Lächeln
CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
IUPAC Name
N-[5-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
InChIKey
OZBSSKGBKHOLGA-UHFFFAOYSA-N
INCHI
1S/C15H13F6N3O4S2/c1-7-11(29-12(22-7)23-8(2)25)30(27,28)24-10-5-3-9(4-6-10)13(26,14(16,17)18)15(19,20)21/h3-6,24,26H,1-2H3,(H,22,23,25)
Isomere SMILES
CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
PubChem CID
44241473
Molekulargewicht
477.39

Dokumentation

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Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
KlasseBenzene and substituted derivatives
SubclassSulfanilides
Intermediate Tree Nodes Not available
Direct ParentSulfanilides
Alternative Parents N-acetylarylamines  2,4,5-trisubstituted thiazoles  Organosulfonamides  Tertiary alcohols  Acetamides  Aminosulfonyl compounds  Heteroaromatic compounds  Secondary carboxylic acid amides  Fluorohydrins  Azacyclic compounds  Carbonyl compounds  Aromatic alcohols  Hydrocarbon derivatives  Alkyl fluorides  Organic oxides  Organofluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Sulfanilide - N-acetylarylamine - 2,4,5-trisubstituted 1,3-thiazole - N-arylamide - Organosulfonic acid amide - Azole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Acetamide - Aminosulfonyl compound - Sulfonyl - Thiazole - Tertiary alcohol - Carboxamide group - Fluorohydrin - Halohydrin - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alcohol - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Aromatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
RORC Tchem Nuclear receptor ROR-gamma (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
RORA Tchem Nuclear receptor ROR-alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H3 Tchem LXR-alpha (2891 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H2 Tchem LXR-beta (3841 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RORA Tchem Nuclear receptor ROR-alpha (562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDatumArtikel
A2215001A2215001Certificate of AnalysisJul 03, 2026 S275957
A2215002A2215002Certificate of AnalysisJul 03, 2026 S275957
A2215003A2215003Certificate of AnalysisJul 03, 2026 S275957
A2215004A2215004Certificate of AnalysisJul 03, 2026 S275957
A2215005A2215005Certificate of AnalysisJul 03, 2026 S275957
A2215006A2215006Certificate of AnalysisJul 03, 2026 S275957
Chemische und physikalische Eigenschaften
LöslichkeitSoluble in DMSO to 10 mM
Molekulargewicht477.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass477.025 Da
Monoisotopic Mass477.025 Da
Topological Polar Surface Area145.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity718.000
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
FAQs und Artikel
Lösungsrechner
Bewertungen

Kundenbewertungen

Application Protocols

General, literature-based guidance for using SR1001 as a research ligand (not item-validated; optimize per assay)

Preparation

  • Warm vial to room temperature in a desiccated environment. Add anhydrous DMSO to prepare a concentrated stock (e.g., 10 mM). Vortex until fully dissolved; brief sonication may help. Record exact concentration.
  • Aliquot the stock into single-use volumes (e.g., 10–50 µL) to avoid repeated freeze–thaw. Store at -20°C protected from light.

Cell-based assays

  • Dilute the DMSO stock into pre-warmed culture medium to the desired working concentration, maintaining final DMSO ≤0.1–0.2% v/v when possible.
  • Include a vehicle control at the highest matching DMSO level. Consider a positive control ligand (if applicable) and a non-targeting negative control.
  • Typical exposure windows: 4–24 h for transcriptional assays; adjust based on kinetics and cell health. Assess viability in parallel (e.g., resazurin, ATP content).

Biochemical assays

  • For TR-FRET/coactivator recruitment assays, pre-incubate receptor LBD with SR1001 across a concentration range (e.g., 0.001–10 µM) and read after equilibrium is reached per kit guidance.
  • For binding/competition assays, maintain constant receptor concentration and titrate ligand; verify absence of compound autofluorescence interference.

Notes

  • Filter working solutions (0.22 µm) if needed. Avoid repeated warming/cooling cycles. Document lot number and preparation details in lab records.
Biological Roles

General literature context (no medical/clinical claims)

  • Target class: SR1001 is widely cited as a small-molecule modulator of retinoic acid receptor–related orphan receptors, notably RORα and RORγ, acting as an inverse agonist in many assay systems.
  • Mechanistic rationale: RORs are ligand-regulated transcription factors. Inverse agonism typically suppresses basal transcriptional activity by stabilizing receptor conformations that disfavor coactivator recruitment and/or promote corepressor engagement.
  • Research applications: SR1001 is used to probe ROR-dependent transcriptional programs in cell lines and primary cells, evaluate pathway cross-talk (e.g., with retinoid and sterol signaling), and benchmark new chemical entities in SAR campaigns.
  • Assay modalities: common use cases include luciferase reporter assays driven by ROR response elements, coactivator recruitment TR-FRET, radioligand or competition binding (where available), and qPCR readouts of ROR target genes.

Caveats and best practices

  • Off-target profiling is recommended; nuclear receptor ligands can display polypharmacology at higher concentrations.
  • Validate activity in multiple assay formats (binding vs. function) to disentangle direct receptor modulation from downstream effects.
  • Match vehicle controls to the highest solvent concentration, and include cytotoxicity/viability readouts to contextualize transcriptional effects.

Item-specific note

  • No lot-specific potency, selectivity, or assay validation data are provided for this item; consult literature and generate in-house controls as needed.
Buffer Applications

Not typically applicable. SR1001 is a bioactive small molecule, not a buffering agent.

Practical guidance

  • When introducing SR1001 into buffered aqueous systems (e.g., PBS, HBSS, culture media), first prepare a concentrated stock in an appropriate organic solvent (commonly DMSO), then dilute into the buffer with rapid mixing.
  • Keep final organic solvent content low (commonly ≤0.1–0.5% v/v) and confirm that buffer components do not precipitate the compound. If precipitation occurs, increase mixing time, adjust temperature slightly (to ambient), or increase the proportion of a biocompatible co-solvent (ethanol, DMSO) within assay tolerance.
  • Filter solutions through a 0.22 µm membrane if clarity/sterility is required.
Green Alternatives

Context: As a bioactive ligand, SR1001 itself does not have a greener “substitute” in the synthetic sense. However, greener handling can be achieved through solvent and process choices when preparing and using solutions.

Greener handling strategies

  • Prefer ethanol or aqueous cyclodextrin formulations over high percentages of DMF when assay compatibility allows.
  • Minimize DMSO concentration in final assay media (≤0.1–0.2% v/v) to reduce solvent burden while maintaining solubility.
  • Use small-volume aliquots to reduce waste from freeze–thaw and expired solutions.

Comparison (general considerations)

  • DMSO: highest solvency; widely accepted in bioassays; moderate environmental impact; ensure proper waste segregation.
  • Ethanol: renewable feedstocks available; good biocompatibility; lower solvency for hydrophobic ligands.
  • PEG400/cyclodextrins: can enable aqueous delivery; assess potential assay interactions and downstream disposal requirements.

Operational choices

  • Adopt microplate-based serial dilution to minimize solvent consumption.
  • Validate room-temperature short-term handling to avoid unnecessary dry ice usage during frequent access, while retaining -20°C long-term storage.

Note: No item-specific green certifications or solvent substitution data are provided; evaluate options within your assay constraints and institutional green-chemistry policies.

Pharmaceutical Uses

Scope and limitations

  • This product is provided strictly for research use only; it is not intended for human or veterinary use, diagnostic procedures, or as an API.

General formulation roles (literature/discovery context)

  • Reference tool compound: SR1001 is commonly used in discovery biology as a pharmacological control or benchmark ligand for RORα/γ in vitro and ex vivo studies.
  • Early formulation screening: researchers may explore solvent systems (DMSO, ethanol, PEGs, cyclodextrins) to study exposure and stability in preclinical models; these activities are exploratory and not equivalent to GMP manufacturing.

Not specified for this item; refer to CoA/Spec Sheet

  • No pharmacopeial monograph, excipient status, residual-solvent class data, or GMP documentation are provided for this item.

Best practices

  • If using in regulated environments, independently qualify identity, purity, and stability; develop fit-for-purpose specifications. Maintain chain-of-custody and storage logs to document material history.
Physical Properties

Item-specific (from Product Data)

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Not specified for this item; refer to CoA/Spec Sheet

  • Molecular weight, molecular formula, exact solubility limits, melting point, boiling point, density, refractive index, pKa, logP/logD: Not specified for this item; refer to CoA/Spec Sheet.

General/literature handling characteristics for SR-class ligands

  • Physical state: commonly supplied as an off-white to light solid or film; may also be provided as a dry film in vials to facilitate accurate DMSO reconstitution (verify on CoA).
  • Solubility (qualitative, literature): typically soluble in DMSO and DMF; limited aqueous solubility is expected without co-solvent or surfactant. Ethanol or isopropanol can serve as secondary solvents; aqueous working solutions often require serial dilution from a DMSO stock with vigorous mixing.
  • Hygroscopicity: many bioactive small molecules can be moisture-sensitive; desiccated storage is recommended (see Storage & Reconstitution).
  • Stability: protect from prolonged exposure to light and repeated freeze–thaw cycles to minimize degradation and potency drift; tightly recap under inert atmosphere if available.

Practical notes

  • Prepare fresh working solutions before use; filter sterilize (0.22 µm) if sterility is required for cell-based assays. Assess solubility visually after dilution (turbidity or precipitate indicates the need for additional co-solvent or lower final concentration).
Quality and Grades

Item-specific (from Product Data)

  • Grade/Purity designation: Moligand™

What Moligand™ implies (general explanation)

  • The Moligand™ designation is used for small-molecule ligands intended for research screening, target validation, and mechanistic studies. Emphasis is typically placed on identity confirmation and suitability for biochemical/cellular assays rather than on chromatographic UV cutoffs or ultra-trace impurity certification associated with analytical solvents.
  • Typical controls (general): identity verification by NMR/HRMS and/or LC–MS, assay of purity by HPLC/UPLC, and documentation suitable for research use. Exact test suite and acceptance criteria are product-specific.

Not specified for this item; refer to CoA/Spec Sheet

  • Exact purity percentage, residual solvent limits, water content, metal content, stabilizers, and UV characteristics are not specified for this item; refer to CoA/Spec Sheet.

Practical notes for users

  • For quantitative biology or medicinal chemistry, request and review the CoA/Spec Sheet and (if needed) a lot-specific analytical package (chromatogram, MS, NMR) to ensure suitability.
  • If your application demands ultra-low endotoxin, bioburden, or specific counter-ion content, contact Technical Support to confirm feasibility prior to use.
Reaction and Applications

This product is not typically employed as a synthetic reagent or catalyst. It is supplied as a research-grade small-molecule ligand for receptor pharmacology and chemical biology.

Relevant applications (literature/general)

  • Chemical probe for nuclear receptor biology: commonly used to interrogate retinoic acid receptor–related orphan receptors (RORs) in biochemical binding assays, reporter gene systems, and cellular pathway studies.
  • Target modulation studies: supports concentration–response profiling, mechanism-of-action investigations (e.g., inverse agonism), and temporal dosing paradigms in cell culture.
  • Proteomics/chemoproteomics workflows: may serve as a competitor/positive control in ligand-binding or pull-down experiments targeting ROR ligand-binding domains.

Practical tips

  • Prepare fresh DMSO stocks; verify concentration by UV or quantitative NMR if required for precise dosing.
  • Include solvent-only controls matching the highest vehicle percentage in assay wells.
  • Confirm lack of fluorescence/absorbance interference in reporter assays by running counter-screens.

For synthetic organic chemistry purposes, SR1001 is not recommended as a reagent or building block. Users seeking transformations, named reactions, or catalytic applications should consult alternative reagents specifically designed for such roles.

Reaction Conditions

Not applicable for this product’s intended use. SR1001 is not used to mediate chemical reactions as a reagent or catalyst.

General assay conditions (literature/guidance for use as a ligand)

  • Stock solutions: commonly 5–50 mM in anhydrous DMSO; store aliquots at -20°C.
  • Working concentrations: exploratory ranges in cell-based assays often span low nanomolar to low micromolar; optimization is assay- and cell-type–dependent. Always include a vehicle control.
  • Incubation: 4–24 h exposures are typical for transcriptional readouts; shorter times may suffice for binding/coactivator assays. Validate time course.
  • Temperature/light: standard cell culture conditions; protect solutions from strong light to minimize photodegradation.

Note

  • The above are general literature practices for small-molecule receptor ligands and are not item-specific specifications. Validate conditions empirically for your system.
Safety and Handling

Item-specific (from Product Data)

  • GHS signal word, pictograms, hazard statements, and classification: Not specified for this item; refer to SDS.

General laboratory safety guidance (not a substitute for SDS)

  • Handle in a chemical fume hood wearing appropriate PPE: lab coat, safety glasses, and chemical-resistant gloves (e.g., nitrile). Avoid inhalation, ingestion, and skin/eye contact.
  • Bioactive nature: as a receptor-active small molecule, treat as potentially harmful at low doses; minimize exposure and avoid aerosol generation.
  • Storage incompatibilities: avoid strong oxidizers and strong acids/bases unless compatibility is known. Protect from moisture and light where possible.
  • Spill/accidental exposure: for skin contact, wash with soap and water; for eye contact, rinse cautiously with water for several minutes and seek medical advice; if inhaled, move to fresh air; if ingested, rinse mouth and seek medical attention. Follow institutional incident procedures.
  • Waste disposal: collect solid and liquid waste in properly labeled hazardous waste containers; do not discharge to drain. Follow local regulations and institutional EHS guidance.
  • Transport within facility: keep container closed, secondary containment recommended to prevent breakage.

Always consult the product-specific Safety Data Sheet (SDS) for authoritative hazard information and first-aid measures.

Solvent Selection

Applicability: SR1001 is used primarily as a bioactive chemical probe; solvent selection focuses on stock preparation and delivery into aqueous systems.

General solvent guidance (literature/common practice)

  • Primary stock solvent: DMSO is the standard due to high solvating power and biological compatibility at low percentages.
  • Secondary solvents: ethanol or isopropanol can be used when DMSO is undesired; DMF is effective but less favored for biological work.
  • Aqueous delivery: prepare concentrated organic stocks (e.g., in DMSO) and dilute into buffered media with vigorous mixing; keep final organic solvent ≤0.1–0.5% v/v where cell/tissue compatibility is critical.

Polarity/miscibility context (general)

  • DMSO: highly polar aprotic, completely miscible with water; excellent for difficult-to-dissolve ligands.
  • Ethanol: polar protic, miscible with water; good biocompatibility at low percentages.
  • PEG400 or Captisol (cyclodextrin): can aid solubilization for in vivo-like models; evaluate for assay interference.

Selection tips

  • Choose DMSO for maximum solubility and stability screening.
  • Prefer ethanol when assay design demands minimal DMSO and the ligand’s solubility permits.
  • Filter 0.22 µm after dilution if particulates are observed; avoid heating above ambient unless stability has been established.

Not specified for this item; refer to CoA/Spec Sheet

  • Exact solubility values in specific solvents are not provided for this item.
Storage and Reconstitution

Item-specific (from Product Data)

  • Storage conditions: Store at -20°C, desiccated.
  • Shipping: Ice chest + ice pads.

General best practices

  • Keep container tightly closed under dry, inert atmosphere if available. Protect from light. Allow vial to equilibrate to room temperature before opening to avoid moisture condensation.
  • Upon first use, prepare concentrated stocks in anhydrous DMSO (or another validated solvent). Vortex to dissolve completely; do not heat unless stability has been established.
  • Aliquot into single-use portions to minimize freeze–thaw; store aliquots at -20°C. Avoid frost-free freezers that cycle temperatures.
  • For short-term bench use, limit cumulative time at room temperature; return unused material promptly to cold, dry storage.

Stability and specifications

  • Item-specific re-test dates, stability indicating methods, and solution shelf-life are not specified for this item; refer to CoA/Spec Sheet.

Reconstitution troubleshooting

  • If undissolved: confirm solvent choice, increase concentration of organic co-solvent, or apply brief bath sonication. If precipitation occurs on dilution into aqueous media, add slowly with vigorous mixing and ensure final solvent composition is within assay tolerance.
Structure and Identity

Brief overview: SR1001 is a research-grade small-molecule ligand supplied as Moligand™ quality for chemical biology and receptor pharmacology workflows.

Item-specific (from Product Data)

  • Product name: SR1001 (SKU: S275957)
  • CAS: 1335106-03-0
  • PubChem CID: 44241473
  • InChIKey: 271292 (as provided)
  • Grade: Moligand™

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.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.

General structural notes (literature)

  • Compound class: small-molecule nuclear receptor ligand; commonly cited as an inverse agonist/modulator of retinoic acid receptor–related orphan receptors (RORs).
  • Functional features typically associated with such ligands include a multi-ring or polyaromatic scaffold with heteroatom substituents capable of engaging the ligand-binding domain (H-bond donors/acceptors and hydrophobic pharmacophore regions). Exact atom connectivity should be confirmed against the provided CoA/SDS.

2D structure description (general, literature)

  • SR1001 is generally depicted as a compact, polyfunctional organic molecule designed to occupy the ROR ligand-binding pocket, presenting both hydrophobic surface area and polar interaction points. For definitive stereochemistry, ring count, and substituent regiochemistry, consult the manufacturer’s CoA or an authenticated structural record (e.g., PubChem CID 44241473).
Synthetic Utility

Not a typical synthetic building block. SR1001 is supplied as a finished bioactive ligand rather than a reagent for transformations or a scaffold bearing orthogonal handles for routine derivatization.

General medicinal chemistry considerations (literature)

  • While SR1001 itself is generally used as a tool compound, related programs may use it as a reference for structure–activity relationship (SAR) efforts targeting RORα/γ. Analog development commonly explores modifications that maintain key receptor interactions while tuning potency, selectivity, and ADME properties.
  • If derivatization is pursued, ensure that any new analogs are fully characterized (NMR, HRMS, HPLC) and reassessed in both binding and functional assays to confirm retention of the intended pharmacology.

Operational guidance

  • Avoid using SR1001 as a surrogate reagent in coupling, redox, or catalytic reactions; choose dedicated reagents optimized for synthetic chemistry instead.
  • For assay bioconjugation or immobilization concepts, custom synthesis using SR1001-inspired linkable analogs is generally preferred over direct modification of this item.
Target Specificity

General literature information

  • Primary targets: Retinoic acid receptor–related orphan receptors RORα and RORγ are widely reported as the intended nuclear receptor targets for SR1001 in inverse agonism paradigms.
  • Mode of action: inverse agonist/modulator of the ligand-binding domain, reducing basal transcriptional activity in reporter and cellular assays.
  • Selectivity: Detailed cross-screening data versus other nuclear receptors vary by study and assay format. Users should confirm selectivity in their system (e.g., NR panel, off-target profiling) since potency and selectivity can be context-dependent.

Item-specific data

  • No lot-specific binding constants (Ki), IC50/EC50 values, or selectivity panel results are provided with this listing. Refer to primary literature and perform in-house verification for critical applications.

Recommendations

  • Include orthogonal readouts (binding vs. function) and incorporate negative/positive controls to substantiate target engagement.

Häufig gestellte Fragen

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
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 ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1335106-03-0, the molecular formula is C15H13F6N3O4S2, and the molecular weight is 477.39 g/mol. InChIKey OZBSSKGBKHOLGA-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.

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