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

CAS: 1239262-36-2 Cat. No.: S287634 Formula: C₁₆H₁₅F₂NO.HCl Molecular Weight: 311.75 PubChem CID: 121513887

GRADE & PURITY ≥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

Specifications

Synonyms

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

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

Canonical Smiles

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

Molecular Weight

311.75

Chemical and Physical Properties

• Solubility: 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 & 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 & 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 & 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 & 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 & 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.