S 2101 - ≥98%(HPLC) , CAS No.1239262-36-2

CAS: 1239262-36-2 Cat. No.: S287634 Fórmula: C₁₆H₁₅F₂NO.HCl Peso molecular: 311.75 PubChem CID: 121513887

CALIDAD & PUREZA ≥98%(HPLC)

Synonyms

(1R,2S)-rel-2-[3,5-Difluoro-2-(phenylmethoxy)phenyl]cycloprpanamine hydrochloride

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

(1R,2S)-rel-2-[3,5-Difluoro-2-(phenylmethoxy)phenyl]cycloprpanamine hydrochloride

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

LSD1 inhibitor (IC50= 990 nM; Ki= 610 nM). Exhibits selectivity for LSD1 over MAO-B and MAO-A (Kivalues are 17 and 110μM, respectively).

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

Sonrisas canónicas

C1C(C1N)C2=C(C(=CC(=C2)F)F)OCC3=CC=CC=C3.Cl

IUPAC Name

(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine;hydrochloride

InChIKey

CTSUZAFTJVLOIX-SBKWZQTDSA-N

INCHI

1S/C16H15F2NO.ClH/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10;/h1-7,12,15H,8-9,19H2;1H/t12-,15+;/m0./s1

PubChem CID

121513887

Peso molecular

311.75

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 15.59, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 31.18, Max Conc. mM: 100

Application Protocols

No tested applications, assay formats, or recommended dilutions are provided for S 2101 in the Product Data.

• Validated applications: Not specified for this item; refer to CoA/Spec Sheet.
• Recommended working concentrations/dilutions: Not specified for this item; refer to CoA/Spec Sheet.
• Positive controls and sample preparation: Not specified for this item; refer to CoA/Spec Sheet.

Guidance

• Prior to use in any assay (e.g., ELISA, WB, IHC, enzyme kinetics), perform a small pilot titration to identify suitable concentration and buffer conditions compatible with your platform.
• For instrument-based assays (SPR/BLI, ITC, DSF), ensure buffer matching and filtration to avoid artifacts.

Note: Because specific protocols are not supplied, the end user should establish conditions empirically and confirm any critical parameters with the lot-specific CoA/technical sheet.

Biological Roles

Item-specific biological function, source organism, and pathway context are not provided for S 2101.

General context (literature-based for proteins)

• Proteins execute the majority of cellular functions, including catalysis (enzymes), signal transduction (receptors, kinases), structural support (cytoskeletal components), transport (carriers, channels), and immune recognition (antibodies, MHC-associated peptides).
• Functional properties derive from amino-acid sequence and 3D folding; ligand binding and allostery often modulate activity.
• Post-translational modifications (PTMs) such as phosphorylation, glycosylation, and ubiquitination diversify function and localization.
• In vitro, purified proteins are used to reconstruct pathways, validate drug targets, and quantify protein–protein and protein–ligand interactions.

Practical implications for research use

• Optimal pH, ionic strength, cofactors (e.g., metal ions, nucleotides), and redox conditions are typically protein-specific and should be confirmed empirically.
• Activity and stability can be highly sensitive to temperature and freeze–thaw cycles; follow the storage guidance and test small-scale conditions first.

Note: Without target specificity or sequence information for S 2101, users should obtain the product’s CoA or technical sheet to determine any known biological role or recommended application.

Buffer Applications

Item-specific buffer composition and recommended conditions are not provided. The following are general, literature-based practices for handling proteins.

• Common buffer systems and working ranges

  • PBS (phosphate-buffered saline): 10–50 mM phosphate, 137 mM NaCl, pH 7.2–7.6; broadly compatible with many proteins and immunoassays.
  • HEPES: 10–50 mM, pH 6.8–8.2; minimal temperature and CO2 sensitivity; favored for live-cell proximity work.
  • Tris: 20–100 mM, pH 7.0–9.0; versatile but primary amine can interfere with NHS-based conjugations and some assays.
  • MES/MOPS: 20–50 mM, pH 6.0–7.2; useful for mildly acidic stability windows.

• Additives (verify compatibility)

  • NaCl (50–300 mM) to increase ionic strength and reduce nonspecific adsorption.
  • Glycerol (10–50%) to enhance stability at 2–8°C or during freezing.
  • Trace nonionic detergent (0.01–0.05%) to reduce surface loss; avoid if it affects activity.
  • Reducing agents (e.g., 1–5 mM DTT/TCEP) only if disulfide reduction is intended/acceptable.

• Practical tips

  • Filter buffers (0.22 μm) and degass when required (e.g., ITC, SPR/BLI).
  • Match buffer composition between the protein and downstream assay to prevent precipitation from sudden changes in pH or ionic strength.
  • Avoid chelators (EDTA) when metal cofactors are essential; avoid azide with peroxidase-based assays.

Note: For S 2101, consult the CoA/Spec Sheet for the exact buffer/formulation and any stabilizers or preservatives.

Green Alternatives

For a protein reagent, green considerations emphasize cold-chain efficiency, buffer choice, and waste minimization rather than solvent substitution.

Opportunities (general, literature-based)

• Buffer systems
  • Prefer biodegradable, low-toxicity buffers (e.g., HEPES, phosphate) over volatile amine systems when possible.
  • Use minimal effective buffer concentration (e.g., 10–25 mM) to reduce salt load in aqueous waste.
• Additives
  • Limit azide or heavy-metal preservatives when not required; consider sterile filtration and small aliquots to extend shelf life.
• Packaging and logistics
  • Consolidate orders to reduce cold-chain shipments. Choose reusable cold packs and materials where available.
  • Request concentrated formats (if offered) to lower packaging and transport weight.
• Process practices
  • Implement closed, small-volume workflows and microplate assays to reduce reagent consumption.
  • Adopt on-demand preparation of working solutions to limit expired waste.

Tradeoffs

• Lower buffer strength may compromise protein stability; validate stability versus environmental impact.
• Removing preservatives can shorten shelf life; compensate via sterile technique and aliquoting.

Note: No item-specific greener formulation or stabilizer details are provided for S 2101; consult the CoA/Spec Sheet for composition before implementing changes.

Pharmaceutical Uses

No pharmacopeial grade or formulation role is specified for S 2101. The product is designated For research use only and is not intended for human or animal administration.

General (literature-based) roles of proteins in pharmaceutical development (non-clinical)

• Process development standards: Proteins may be used as surrogates or standards to optimize purification unit operations (e.g., chromatography, filtration) and analytical methods.
• Analytical system suitability: Reference proteins can support method qualification for SEC, SDS-PAGE, CE-SDS, LC-MS peptide mapping, or potency assays.
• Formulation research: Screening of buffers, excipients (sugars, polyols, amino acids), and stabilizers to understand aggregation, oxidation, and interfacial stress.
• Device compatibility studies: Assess adsorption and stability in contact with packaging or delivery-device materials.

Considerations

• For any development use, confirm identity, purity, concentration, endotoxin level, and buffer composition from the CoA/Spec Sheet.
• If the protein contains preservatives (e.g., sodium azide), ensure compatibility with intended analytical methods and materials.

Item-specific status

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Pharmacopeial compliance (USP/EP): Not specified for this item; refer to CoA/Spec Sheet.

Physical Properties

Item-specific physical data are not provided for this protein reagent.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight (MW): Not specified for this item; refer to CoA/Spec Sheet.
• Isoelectric point (pI): Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• Extinction coefficient (ε): Not specified for this item; refer to CoA/Spec Sheet.
• pH of supplied solution: Not specified for this item; refer to CoA/Spec Sheet.
• Additives/stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

General (literature-based, for proteins)

• Proteins typically dissolve in aqueous buffers (10–100 mM) with ionic strength and pH near their stability window; NaCl (50–300 mM) often improves solubility.
• Thermal stability commonly follows a sigmoidal melting transition (Tm); maintaining 2–8°C reduces denaturation and aggregation.
• Many proteins adsorb to plastics; low-bind tubes and carrier proteins or inert detergents (e.g., 0.01% Tween-20) may mitigate loss, if compatible.
• Freeze–thaw can cause aggregation; aliquoting before freezing and adding cryoprotectants (e.g., 10–50% glycerol) are standard practices when permitted.

Note: For authoritative values (MW, concentration, buffer composition, extinction coefficient), consult the product’s CoA/SDS; no item-specific numeric specifications are provided here.

Quality and Grades

Item-specific grade/purity details are not provided.

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

Context and interpretation (general for protein reagents)

• Research-use protein reagents may be offered as crude extracts, partially purified, or high-purity preparations (e.g., >90–98% by SDS-PAGE). Without a stated grade, assume research-only suitability and verify with CoA.
• Typical QC elements for proteins (literature):
  • Identity: MS peptide mapping, N-terminal sequencing, or immuno-identity.
  • Purity: SDS-PAGE densitometry, SEC-HPLC for aggregates.
  • Activity: Functional assay (enzymatic turnover, binding Kd) when applicable.
  • Concentration: A280 using an extinction coefficient, BCA/Bradford assays.
  • Endotoxin/bioburden: Relevant for cell culture; often reported in EU/mg or CFU/mL.
• Stabilizers and excipients (e.g., glycerol, salts, sugars, carrier proteins) are commonly used to enhance stability, but none are specified here.

Practical guidance

• Prior to critical experiments, request the CoA/Spec Sheet for this specific lot to confirm identity, purity, buffer composition, and any additives that might interfere with downstream applications (e.g., amines affecting NHS coupling).

Reaction and Applications

Manufacturer Applications: Not provided for this item; see below for research-context possibilities (general, literature-based) applicable to protein reagents.

Potential research applications (general)

• Biochemical assays: Enzymatic kinetics, substrate screening, or binding assays if the protein is catalytic or recognizes ligands.
• Biophysical characterization: Circular dichroism, DSF, DSC, DLS, and SEC-MALS to assess folding, stability, aggregation state.
• Standards and controls: Calibration of electrophoresis or immunoassays (if identity is appropriate), though specificity for this product is not stated.
• Surface immobilization: Capture on sensor chips (SPR/BLI) or microplates for interaction studies, subject to buffer compatibility.
• Bioconjugation: Derivatization via lysines (NHS esters), cysteines (maleimides), or N-termini for labeling or crosslinking (see Synthetic Utility).

Practical handling tips (general)

• Maintain on ice/2–8°C; minimize freeze–thaw. Aliquot if long-term storage requires freezing.
• Pre-clear buffers by centrifugation/filtration to remove particulates before sensitive measurements (e.g., light scattering).
• If concentration is low, use low-bind plastics and consider adding inert carrier (e.g., BSA) only when it will not interfere with downstream assays.

Note: Because the specific identity and activity of S 2101 are not disclosed here, plan small pilot experiments to confirm behavior under intended conditions.

Reaction Conditions

No item-specific reaction or activity conditions are provided. The following summarizes general, literature-based conditions for common protein-related chemistries.

• NHS-ester labeling (lysines)

  • Solvent: Aqueous buffer without primary amines (e.g., PBS, bicarbonate, HEPES).
  • pH: 7.5–8.5 to favor amine nucleophilicity.
  • Temperature/Time: 4–25°C, 15–120 min; protect from light for fluorophores.
  • Quench: Add excess Tris or glycine post-reaction; purify by desalting/SEC.

• Maleimide-thiol coupling (cysteines)

  • Buffer: Degassed PBS/HEPES, optionally with 1–5 mM EDTA to sequester metals.
  • pH: 6.5–7.0 (minimize maleimide hydrolysis and lysine cross-reactivity).
  • Reductive prep: TCEP (0.5–5 mM) briefly to generate free thiols, then remove excess.

• EDC/NHS carboxyl activation

  • Buffer: MES, pH 4.7–6.0 for activation; couple to amines near neutral pH.
  • Notes: Avoid primary amines during activation; work quickly due to O-acylisourea instability.

• Immobilization for SPR/BLI

  • Typical: Amine coupling to carboxymethyl dextran at pH ~4–5 for preconcentration, then EDC/NHS activation.

Expected outcomes

• Degree of labeling often targeted at 0.5–3 tags per protein (optimize empirically); yields depend on accessibility and buffer compatibility.

Caution: Confirm S 2101’s buffer composition, presence of azide or carrier proteins, and stability before applying any reaction conditions.

Safety and Handling

Safety details specific to this item are not provided in the Product Data. Always consult the official SDS for definitive guidance.

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

General laboratory guidance for protein reagents (literature/standard practice)

• PPE: Wear lab coat, safety glasses, and nitrile gloves. Avoid inhalation of powders/aerosols and contact with eyes/skin.
• Handling: Work on ice or at 2–8°C as applicable to maintain stability. Minimize vortexing/foaming to reduce denaturation.
• Hygiene: Do not pipette by mouth. Wash hands after handling. Avoid cross-contamination of stocks.
• Incompatibilities: Proteins can be sensitive to extremes of pH, oxidants/reductants, metal ions, and organic solvents; compatibility is sequence- and fold-dependent.
• Biological risk: Unless stated otherwise, treat as non-sterile laboratory material. Not for human or animal use.
• First aid (overview; defer to SDS): If inhaled—move to fresh air; skin/eye contact—rinse with water; ingestion—rinse mouth. Seek medical attention if symptoms persist.
• Spill response: Absorb liquids with inert material. For powders, avoid dust generation; dampen before collection. Dispose in accordance with institutional and regional regulations.

Storage per Product Data

• Store at 2–8°C; ship on wet ice. Do not freeze unless documentation indicates stability upon freezing.

Solvent Selection

This product is a protein reagent; selection focuses on aqueous buffer systems rather than organic solvents.

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

General guidance (literature-based)

• Primary medium: Aqueous buffers at 10–100 mM, adjusted to near the protein’s pI ±1–2 pH units for solubility/stability balance.
• Common buffers and uses:
  • Phosphate (PBS, 10–50 mM, pH 6.5–7.8): Broad compatibility; may chelate metals weakly; phosphate can inhibit some enzymatic reactions.
  • Tris (20–100 mM, pH 7.0–9.0): Good pH capacity near neutral; primary amine interferes with NHS ester chemistry.
  • HEPES (10–50 mM, pH 6.8–8.2): Zwitterionic, low temperature/pCO2 sensitivity; good for live-cell work.
  • MOPS/MES (20–50 mM, pH 6.0–7.2): Suitable for mildly acidic conditions.
• Additives:
  • NaCl (50–300 mM) to improve solubility and reduce nonspecific binding.
  • Glycerol (10–50%) to enhance cold stability and reduce freeze damage.
  • Trace detergent (0.01–0.1% Tween-20, Triton X-100) for surface-loss mitigation (confirm compatibility).
• Avoid:
  • High levels of organic cosolvents (ACN, MeOH, DMSO) unless protein is documented tolerant.
  • Buffers containing reactive groups (e.g., Tris, glycine, azide) when planning bioconjugation or enzymatic assays sensitive to those components.

Recommendation: Validate buffer composition against downstream application constraints (enzymes, coupling chemistries).

Storage and Reconstitution

Item-specific guidance

• Storage Temperature: Store at 2–8°C (per Product Data).
• Shipping: Shipped on wet ice (per Product Data).
• Appearance/Format: Not specified for this item; refer to CoA/Spec Sheet.
• Concentration/Buffer: Not specified for this item; refer to CoA/Spec Sheet.
• Reconstitution instructions (if lyophilized): Not specified for this item; refer to CoA/Spec Sheet.

General best practices for protein reagents (literature-based)

• If lyophilized: Reconstitute with filtered buffer at the recommended pH/ionic strength; add slowly along tube wall; gentle mixing (no vigorous vortexing). Allow to sit on ice to fully dissolve.
• If in solution: Keep at 2–8°C for short-term use. For longer-term storage, consider aliquoting and freezing at −20°C or −80°C only if documentation supports freeze stability; add 10–50% glycerol as cryoprotectant when appropriate.
• Avoid repeated freeze–thaw cycles; thaw on ice and mix gently.
• Use low-bind tubes and pre-chilled pipette tips to minimize adsorption and thermal stress.
• Recordkeeping: Note date of opening, number of freeze–thaw cycles, and any observed precipitation or turbidity.

Disclaimer: Where specific stabilizers, preservatives, or reconstitution volumes are critical, rely on the product’s CoA/Spec Sheet and SDS; these details are not specified in the provided Product Data.

Structure and Identity

Brief overview: S 2101 (SKU S287634) is listed under proteins; no primary sequence or molecular composition is provided in the Product Data.

• Item-specific identifiers

  • SKU: S287634
  • Product Name: S 2101
  • Category: Protein (research reagent)
  • CAS: 1239262-36-2
  • PubChem CID: 121513887
  • InChIKey: 53426 (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.

• Structural features (general, literature-based)

  • As a proteinaceous material, the structure would comprise a linear polypeptide backbone of L-α-amino acids with side-chain functional diversity (acidic, basic, polar, hydrophobic residues).
  • Potential higher-order structure includes secondary (α-helix/β-sheet), tertiary, and possibly quaternary organization stabilized by hydrogen bonds, hydrophobic packing, salt bridges, and (if present) disulfide bonds.
  • Post-translational modifications (e.g., glycosylation, phosphorylation) are common in proteins but are not specified for this item.

• 2D depiction (descriptive)

  • A conventional 2D schematic would show a peptide backbone with repeating –NH–CH(R)–CO– units and side-chain substituents R; actual sequence/order is unknown for this product.

Synthetic Utility

While proteins are not classical small-molecule building blocks, they play central roles in bioconjugation and chemical biology. No item-specific reactive groups or modifications are provided for S 2101; the following outlines general, literature-based strategies.

Key functional handles in proteins

• Lysine ε-amines: Conjugation via NHS esters, isothiocyanates, activated carbonates.
• Cysteine thiols: Selective alkylation/maleimide coupling; disulfide rebridging strategies.
• N-terminus/C-terminus: Differential reactivity enables selective N-terminal acylation or C-terminal activation.
• Carboxylates (Asp/Glu): Carbodiimide coupling (EDC/NHS) to form amide bonds with amines.
• Aromatic residues: Diazonium coupling (Tyr), oxidative labeling, or photo-crosslinking (with installed probes).

Applications

• Fluorophore/biotin labeling for detection and capture.
• Surface immobilization on beads or sensor chips for pull-downs and kinetic assays.
• Crosslinking (e.g., BS3, DSS, sulfo-SMCC) to map interactions or create conjugates.
• Chemoenzymatic tagging (sortase, glycan engineering) when sequence permits.

Practical considerations

• Maintain native structure: optimize pH, buffer, and avoid amine-containing buffers (e.g., Tris) for NHS chemistries.
• Control stoichiometry to prevent over-modification and aggregation; use SEC or MS to characterize conjugates.

Note: For S 2101, verify buffer composition and presence of competing nucleophiles or preservatives before planning any coupling reaction.

Target Specificity

Item-specific target, epitope, species reactivity, clone, and isotype information are not provided for S 2101.

• Antigen/Target: Not specified for this item; refer to CoA/Spec Sheet.
• Epitope/Binding site: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity: Not specified for this item; refer to CoA/Spec Sheet.
• Clone/Isotype (if antibody): Not specified for this item; refer to CoA/Spec Sheet.

Note: If S 2101 is an antibody or binding protein, consult the product documentation for validated targets and applications. No specificity data are available in the provided Product Data.