SRD5A1-IN-1 - ≥99% , CAS No.2279077-93-7

CAS: 2279077-93-7 Cat. No.: S1440101 Fórmula: C₁₇H₁₁F₆NO₃ Peso molecular: 391.26

GRADE & PURITY ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

SRD5A1-IN-1 (Compound 4) is a competitive and covalent steroid 5α-reductase type 1 ( SRD5A1 ) inhibitor with an IC 50 of 1.44 µM. SRD5A1-IN-1 modulates SRD5A1 function, leading to a lower level of dihydrotestosterone (DHT) production and SRD5A1 protein suppression.

Specifications

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Peso molecular

391.26

Application Protocols

No vendor-validated application protocols, tested assay formats, or recommended dilutions are provided in the Product Data for this item.

• General starting points (for small-molecule inhibitors):
  • Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM; verify solubility visually and by LC–MS.
  • Biochemical assays: Perform 10-point 3-fold serial dilutions, include vehicle controls, and measure full dose–response curves.
  • Cell-based assays: Keep final DMSO ≤0.5–1% v/v; include cytotoxicity controls and assess compound stability in media over the assay duration.

Please refer to the CoA/Spec Sheet and SDS for any item-specific instructions. Develop and validate protocols under your laboratory’s SOPs.

Biological Roles

• General biology of the putative target (literature context; not item-specific claims):

  • Steroid 5α-reductase type 1 (SRD5A1) is a microsomal NADPH-dependent oxidoreductase that catalyzes the 5α-reduction of Δ4,5-3-ketosteroids (e.g., conversion of testosterone to dihydrotestosterone, DHT). SRD5A isoenzymes (1/2/3) differ in tissue distribution, kinetic parameters, and substrate preferences.
  • SRD5A1 is implicated in androgen and neurosteroid metabolism and is expressed in diverse tissues including skin, liver, and nervous system. Its activity influences local concentrations of potent 5α-reduced steroids, affecting gene regulation via nuclear hormone receptors in experimental systems.

• Research applications (general):

  • Chemical probes that modulate SRD5A1 are used to dissect steroidogenic flux, characterize isoenzyme selectivity, and benchmark biochemical assay formats (e.g., LC–MS quantitation of steroid products).
  • Cellular studies may track downstream transcriptional responses or metabolite ratios to infer enzyme inhibition in situ.

• Important caveats:

  • Isoform selectivity is critical; cross-inhibition of SRD5A2/3 can confound interpretations. Orthogonal assays (biochemical, cellular, and metabolomics) are recommended to validate isoform-specific effects.
  • Off-target profiling (e.g., against 3β-HSD, 17β-HSD, or aromatase) helps rule out broader steroidogenic interference.

Note: The above summarizes general biology. This item’s exact target engagement, selectivity, and potency are not specified and must be determined from the CoA/Spec Sheet or by in-house testing.

Buffer Applications

This product is a small-molecule research probe rather than a buffering agent. It does not constitute a classical buffer system.

• Practical guidance (general):
  • Prepare working solutions in assay buffers appropriate for the biological system (e.g., HEPES, Tris, or phosphate buffers), ensuring vehicle (DMSO/ethanol) carryover is controlled (typically ≤0.5–1% v/v).
  • Verify compound stability in the chosen buffer over the assay time course by LC–MS or UV if possible.

Item-specific pKa, buffer compatibility windows, and solubility are not specified; consult the CoA/Spec Sheet and conduct small-scale pretests.

Green Alternatives

While the compound itself is a research probe, greener practices can be applied to its handling and solution preparation.

• Solvent choices (general sustainability guidance):

  • Prefer DMSO over DMF or NMP when feasible due to lower worker exposure concerns and better waste management profiles, though DMSO still requires responsible disposal.
  • Use ethanol/water mixtures for low-solubility screening only if assay tolerance permits; ethanol has a more favorable environmental profile but higher volatility.

• Operational efficiencies:

  • Minimize solvent volumes by preparing higher-concentration master stocks and performing on-plate dilutions.
  • Adopt miniaturized assay formats (e.g., 384–1536 well) to reduce solvent and compound consumption.
  • Implement plate sealing to limit VOC emissions from ethanol or other volatile vehicles.

• Waste reduction and safety:

  • Segregate halogenated from non-halogenated solvent waste. Avoid chlorinated solvents for cleaning or transfer unless strictly necessary.
  • Reuse glassware where validated; prefer aqueous cleaners over solvent rinses when compatible.

• Trade-offs (balanced view):

  • Although ethanol is greener than DMSO, solubility and assay compatibility may limit its use. DMSO provides broad solubilization and water miscibility but can enhance dermal absorption of solutes—use appropriate PPE.

For item-specific green alternatives related to synthesis or isolation, consult the supplier’s process information if available; none is provided in the Product Data.

Pharmaceutical Uses

No pharmaceutical or clinical uses are claimed or supported for this catalog item. It is supplied strictly for research use only, as stated in the Product Data.

• Relevant research/formulation context (general):
  • As a discovery-stage small molecule, it may be used as a tool compound in preclinical assays to probe biochemical pathways. Any formulation-related work (e.g., solubilization strategies for in vivo models) should be conducted under appropriate institutional approvals and is outside the scope of this product listing.
  • No pharmacopeial monographs or excipient roles are indicated for this item.

For any application beyond laboratory research, users must perform full due diligence. Refer to the SDS and CoA for material-specific information.

Physical Properties

• Item-specific parameters (from 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.

• Typical handling form (general):

  • Bioactive screening compounds are commonly supplied as off-white to light-colored crystalline solids or lyophilized powders, occasionally as dilute DMSO solutions. The exact form for this item is not provided and should be confirmed on the label/CoA.

• Solubility and related properties (general guidance, literature-based for small molecules):

  • DMSO: Often used for primary stock solutions at 10–50 mM; actual solubility must be verified experimentally for this exact item.
  • Aqueous buffers: Solubility depends on ionizable groups and pKa; if low, co-solvents (DMSO ≤1–2% v/v in assays) or surfactants may be used.
  • LogP/pKa/refractive index: Not specified for this item; refer to CoA/Spec Sheet or determine experimentally.

• Thermal properties:

  • Melting point, boiling point, and decomposition behavior: Not specified for this item; refer to CoA/Spec Sheet.

• Density/refractive index:

  • Not applicable or not specified for this item; refer to CoA/Spec Sheet.

Note: All non-specified values above are not product specifications. For method development, measure solubility and stability in intended assay media and document batch-specific properties from the CoA.

Quality and Grades

• Item-specific grade/purity: Not specified for this item; refer to CoA/Spec Sheet.

• Interpreting typical grades for screening compounds (general guidance):

  • Research grade: Suitable for discovery biology and medicinal chemistry screening. Purity is commonly ≥95% by HPLC/UPLC unless otherwise stated; verify batch-specific purity and analytical chromatograms on the CoA.
  • HPLC chromatographic purity vs. assay purity: Chromatographic area% does not equal potency; confirm identity by orthogonal methods (e.g., HRMS, NMR) when critical, and review residual solvents/water if your assay is sensitive.

• Stabilizers and form:

  • No stabilizer is specified in the Product Data. If present, it would appear on the CoA/label. Stabilizers can influence UV backgrounds or assay readouts; adjust blanks/controls accordingly.

• Practical QA recommendations:

  • Upon receipt, record lot number, verify labeling, and request CoA if not included.
  • Confirm solubility and assay interference (e.g., fluorescence, absorbance, redox activity) in your specific readout.
  • For SAR or biophysical studies, consider re-purification or preparation of fresh solid aliquots to ensure analytical integrity across campaigns.

Note: Where exact specifications are required for regulated workflows or publication, cite the batch-specific CoA values; do not substitute generic literature values.

Reaction and Applications

This product is a research-use small molecule intended for discovery workflows rather than as a synthetic reagent. Accordingly, “reactions” pertain to biochemical and cell-based assay applications rather than organic transformations.

• Intended research applications (general, consistent with name):

  • Enzyme inhibition studies targeting the steroid 5α-reductase family in biochemical assays (e.g., NADPH-dependent conversion of steroid substrates), pending verification of target specificity for this exact item from the CoA or internal notes.
  • Target engagement in cells via readouts of androgen metabolism or pathway biomarkers, with appropriate positive/negative controls.
  • Profiling across isoenzymes (SRD5A1/2/3) and off-target panels to establish selectivity windows.

• Practical assay tips:

  • Prepare concentrated DMSO stocks and perform serial dilutions to minimize compound aggregation; include detergent (e.g., 0.01% Tween-20) if aggregation is suspected.
  • Use counterscreens (e.g., redox cycling, Pan-Assay Interference Compounds tests) to rule out assay artifacts.
  • Implement time-dependent inhibition checks if mechanism suggests slow-binding or NADPH-dependent preincubation effects.

• Data quality considerations:

  • Report IC50/ Ki with full concentration–response curves, Hill slopes, and replicate statistics. State buffer composition, substrate concentrations (KM-relative), and temperature.
  • Confirm identity/purity and monitor stability in assay buffer by LC–MS when feasible.

Note: This section provides general guidance; no target-specific claims are made for this item beyond its catalog name. Consult the CoA/Spec Sheet for any item-validated applications.

Reaction Conditions

Not typically applicable. This item is not offered as a reagent for chemical transformations; therefore, no standard “reaction conditions” are defined.

• For biochemical assay conditions (general guidance):
  • Temperature: Commonly ambient (20–25 °C) or 37 °C for cellular assays.
  • Solvent: Stocks in DMSO; final vehicle ≤0.5–1% v/v in aqueous assay buffers.
  • Incubation: Time may vary from minutes to hours depending on the endpoint (e.g., enzymatic turnover vs. transcriptional response). Preincubation with enzyme ± NADPH may be informative for mechanistic studies.
  • Detection: LC–MS quantitation of steroid products, radiometric assays, or fluorescence-based coupled assays, with appropriate counterscreens to avoid interference.

All item-specific conditions, including potency and kinetics, are not specified and should be determined empirically.

Safety and Handling

• GHS classification and hazard statements (item-specific):

  • Signal Word: Not specified for this item; refer to SDS.
  • H-Statements: Not specified for this item; refer to SDS.
  • GHS Classification/Pictograms: Not specified for this item; refer to SDS.

• General laboratory precautions (good practice for small-molecule research compounds):

  • Use in a chemical fume hood; avoid inhalation of dust or aerosols.
  • Wear suitable PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Change gloves regularly when handling DMSO solutions to minimize dermal exposure.
  • Avoid contact with skin and eyes; wash thoroughly after handling. Do not eat, drink, or smoke while using this product.

• Storage incompatibilities and stability (general):

  • Store at 2–8°C as provided in the Product Data. Protect from moisture and light unless the CoA indicates otherwise. Keep container tightly closed.
  • For working solutions in DMSO or aqueous media, minimize freeze–thaw cycles and exposure to air to reduce hydrolysis/oxidation risks that some chemotypes may exhibit.

• Spill/first aid (overview; defer to SDS):

  • Small spills: Absorb with inert material and dispose according to institutional chemical waste procedures.
  • First aid: If inhaled, move to fresh air; if on skin, wash with soap/water; if in eyes, rinse cautiously with water for several minutes; if ingested, rinse mouth. Seek medical attention as appropriate.

Always consult the official SDS for authoritative hazard, toxicology, and disposal guidance before use.

Solvent Selection

• Item-specific solvent compatibility/solubility: Not specified for this item; refer to CoA/Spec Sheet. The following are general best practices for small-molecule inhibitors in screening workflows.

• Primary stock solvents (general):

  • DMSO: Preferred for preparing concentrated stocks (e.g., 10–50 mM). Filter sterilize if used in cell-based assays. Limit final assay DMSO to ≤0.5–1% v/v to minimize cytotoxic/assay effects.
  • DMF or ethanol: Secondary options when DMSO solubility is insufficient; check assay tolerance and evaporation rates.
  • Aqueous buffers: Possible if the compound has favorable ionization; use co-solvents or pH adjustment as appropriate.

• Polarity and miscibility (general context):

  • DMSO mixes with water in all proportions, easing serial dilutions. Ethanol is also miscible with water, but volatility can cause concentration drift; cap plates promptly.

• Practical solvent decision tree:

  • Start with DMSO solubility screen at room temperature; if limited, gently warm (≤40 °C) and vortex/sonicate.
  • Evaluate precipitation upon dilution into assay buffer; maintain a low DMSO carryover and include vehicle controls.
  • For light- or oxidation-sensitive chemotypes (unknown for this item), protect from light and add antioxidants only if compatible with the assay.

• Documentation:

  • Record exact solvent lot, concentration, and dilution protocol in the ELN. For publication or cross-site studies, include final vehicle % and plate handling parameters.

Storage and Reconstitution

• Item-specific storage and shipping:

  • Storage Conditions: Store at 2–8 °C (as provided in the Product Data). Keep tightly closed, protected from moisture and light unless otherwise indicated on the label/CoA.
  • Shipped In: Wet ice.

• Reconstitution (general guidance for small molecules; item-specific solubility not provided):

  • Prepare concentrated stock solutions in anhydrous DMSO (e.g., 10–50 mM). Vortex and, if necessary, gently warm (≤40 °C) and sonicate briefly to assist dissolution. Do not overheat.
  • If sterile solutions are required for cell-based assays, pass through a 0.22 µm PTFE or PES filter compatible with DMSO.
  • Aliquot stocks into single-use volumes (e.g., 10–50 µL) to avoid repeated freeze–thaw cycles. Store aliquots at 2–8 °C for short term or per internal stability studies; many labs keep DMSO stocks at −20 °C for longer-term storage, but confirm stability for this item experimentally.

• Handling tips:

  • Allow cold vials to equilibrate to room temperature before opening to minimize moisture condensation.
  • Record preparation date, concentration, and solvent lot in your ELN. Monitor for precipitation upon dilution into aqueous buffers and adjust vehicle percentage accordingly.

Note: Where specific stability, solubility, or reconstitution details are required, consult the batch CoA/Spec Sheet. This product is for research use only.

Structure and Identity

• Item-specific identifiers from Product Data:

  • CAS: 2279077-93-7
  • Product Name: SRD5A1-IN-1 (catalog/tool compound naming convention suggests an inhibitor of steroid 5α-reductase type 1)
  • SKU: S1440101
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
  • 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.

• Structural features:

  • Item-specific 2D/3D structure is not provided in the Product Data. Please consult the CoA/Spec Sheet for definitive structure, stereochemistry, and identifiers.

• Context and interpretation (general, literature-based):

  • Compounds named “SRD5A1-IN-#” are typically small-molecule chemical probes designed to modulate SRD5A1 activity in biochemical or cellular assays. Such molecules often feature heteroaromatic scaffolds and H-bond donor/acceptor arrays suited to enzyme active sites; however, exact functional groups for this specific item are not provided here and must be verified from the CoA/Spec Sheet.

• Practical note:

  • For registration, ELN documentation, or analytical method development, retrieve the exact structure (SMILES/InChIKey) from the item’s CoA/Spec Sheet to avoid ambiguity when comparing against databases (e.g., vendor or internal screening library registries).

Synthetic Utility

This product is positioned as a bioactive screening compound rather than a synthetic building block or reagent.

• Applicability to synthesis:

  • Not typically used as a coupling partner, protecting group reagent, or catalyst.
  • Lacking disclosed functional groups and structure in the Product Data, no item-specific reactivity guidance can be provided.

• Practical note for chemists:

  • If analog synthesis or SAR is planned, obtain the exact structure and consider retrosynthetic analysis to identify tractable fragments and potential diversification points. Any synthetic exploitation should be based on confirmed structure/purity from the CoA/Spec Sheet.

Target Specificity

• Item-specific target data are not provided in the Product Data. No validated target, isoform selectivity, or binding parameters are specified for this item.

• Important note:

  • The product name suggests an intended research focus on SRD5A1; however, this is not a confirmed specification. Users should consult the CoA/Spec Sheet or perform in-house profiling (e.g., biochemical IC50, selectivity across SRD5A isoforms and related enzymes) to establish target specificity.

No claims are made here about biological targets for this item beyond its catalog name.

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 2279077-93-7, the molecular formula is C17H11F6NO3, and the molecular weight is 391.26 g/mol.

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.