クロパミド - ≥98% , CAS No.636-54-4

CAS: 636-54-4 Cat. No.: C136686 分子式: C14H20ClN3O3S 分子量: 345.84 EC番号: 211-261-7
注文可能
グレード&純度 ≥98%
Synonyms
17S83WON0I | MLS000028574 | SMR000058988 | Benzamide, 3-(aminosulfonyl)-4-chloro-N-[(2R,6S)-2,6-dimethyl-1-piperidinyl]-, rel- | Clopamide, European Pharmacopoeia (EP) Reference Standard | EINECS 211-261-7 | 4-Chloro-N-(2,6-dimethylpiperidino)-3-sulfamoyl
Storage
2~8℃で保存
Shipped In
濡れた氷
★
サイズ
USA
ドイツ (EU)*
価格
個数
100mg
C136686-100mg
3 在庫あり
—
$78.90
500mg
C136686-500mg
1 在庫あり
—

$241.90

$355.90
保存 $114.00 (32.03%)
Enter a quantity for the sizes you want to add.
🧪
このグレードを選ぶ理由

≥98% ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。

🌡

保管・配送

2~8℃で保存 濡れた氷 に出荷。正確な仕様については、ロット固有の COA をご確認ください。

📋

品質書類

SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。

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文献的裏付け

クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。

概要

クロパミドはNCCT(塩化ナトリウム共輸送体)を選択的に阻害することが示されている。低カリウム血症は、高血圧患者に慢性的に投与した場合に顕著であった。インスリン投与を受けていない糖尿病患者の平均血糖値をかなり上昇させることが報告されている。また、糖尿病患者において、体重と血圧を低下させ、血中尿素を上昇させることが報告されている。
塩化ナトリウム共輸送体を選択的に阻害する化合物。

仕様

同義語
17S83WON0I | MLS000028574 | SMR000058988 | Benzamide, 3-(aminosulfonyl)-4-chloro-N-[(2R,6S)-2,6-dimethyl-1-piperidinyl]-, rel- | Clopamide, European Pharmacopoeia (EP) Reference Standard | EINECS 211-261-7 | 4-Chloro-N-(2,6-dimethylpiperidino)-3-sulfamoyl
仕様と純度
≥98%
生化学的・生理学的メカニズム
選択的Na + /2Cl - 共トランスポーター阻害薬。生体内で利尿作用。経口活性。
保管条件
2~8℃で保存
入荷
濡れた氷
注
可能な限り、溶液はその日のうちに調製し、使用すること。ただし、事前にストック溶液を調製する必要がある場合は、密栓したバイアルに分注した溶液を-20℃で保存することをお勧めします。通常、これらは1ヶ月間使用可能です。使用前、バイアルを開封する前に、製品を少なくとも1時間室温に平衡化させることをお勧めします。溶解性、使用方法、取り扱いについて、さらに詳しいアドバイスが必要ですか?詳しくは、よくある質問(FAQ)のページをご覧ください。
純度
≥98%
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/504752358
カノニカル・スマイル
CC1CCCC(N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C
IUPAC Name
4-chloro-N-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide
InChIKey
LBXHRAWDUMTPSE-AOOOYVTPSA-N
INCHI
1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+
異性体SMILES
C[C@@H]1CCC[C@@H](N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C
WGKドイツ
3
分子量
345.84
Reaxy-Rn
1155428
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1155428&ln=

ドキュメント

📋 安全データシート(SDS)

危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。

<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3

✅ 分析証明書(COA)

ロット固有の品質データ。ロット番号を入力して、正確な COA を取得してください。

COA を検索 →

📊 データシート

製品仕様と用途のクイックリファレンス概要。

データシートを見る →

🔬 仕様書

このグレードの完全な品質特性と合格基準。

仕様書を見る →

詳細データ

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonamides
Alternative Parents 4-halobenzoic acids and derivatives  Benzenesulfonyl compounds  Benzoyl derivatives  Chlorobenzenes  Piperidines  Organosulfonamides  Aryl chlorides  Aminosulfonyl compounds  Carboxylic acid hydrazides  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organonitrogen compounds  Organooxygen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzenesulfonamide - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid hydrazide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





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作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
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.

4 results found

Lot NumberCertificate Type日付商品
G2425182G2425182Certificate of AnalysisMay 09, 2026 C136686
H2211052H2211052Certificate of AnalysisFeb 04, 2026 C136686
H2211107H2211107Certificate of AnalysisFeb 04, 2026 C136686
H1602044H1602044Certificate of AnalysisApr 14, 2022 C136686
化学的性質と物理的性質
溶解度Soluble in DMSO (20 mg/mL), ethanol (5 mg/mL warm), and water (partly miscible).
融点(°C)248-249℃
分子量345.800 g/mol
XLogP32.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass345.091 Da
Monoisotopic Mass345.091 Da
Topological Polar Surface Area101.000 Ų
Heavy Atom Count22
Formal Charge0
Complexity498.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
レビュー

顧客レビュー

Application Protocols

No validated application protocols (e.g., assay conditions, analytical methods) are provided for this SKU. The following are general, non-binding suggestions to aid method development.

  • Stock preparation (general):

    • Dissolve in dry DMSO to 10–50 mM; vortex and sonicate briefly. Filter through 0.22 µm if particulate persists. Store aliquots at 2–8 °C protected from light.
  • LC–MS method development (general):

    • Column: C18, 2.1 × 50 mm, 1.7–3 µm.
    • Mobile phase: water + 0.1% formic acid (A) / acetonitrile + 0.1% formic acid (B); gradient 5→95% B over 5–8 min.
    • Detection: UV 220–280 nm and positive/negative ESI to bracket ionization of sulfonamide/amide species.
  • Solubility screening (general):

    • Kinetic solubility: DMSO spike into buffer to 1% final; measure nephelometry or UV after filtration.
    • Thermodynamic solubility: equilibrate excess solid in buffer with/without cosolvent at 25 °C for 24 h; quantify by LC.

Note: Treat these as starting points only; tune parameters to your instrumentation and acceptance criteria. For lot-specific recommendations, consult the CoA.

Biological Roles

Item-specific biological characterization is not provided. The following points summarize general, literature-level context for arylsulfonamide benzamides like clopamide, intended strictly for research discussion with no clinical claims.

  • Chemical biology context (literature/general):

    • Aryl sulfonamides often interact with protein targets through dual H-bonding (sulfonamide/amide) and hydrophobic aromatic contacts. They serve as common scaffolds in ligand discovery.
    • Clopamide has been described in the literature as belonging to a class of small molecules studied for modulation of renal ion transport processes; such descriptions are context for mechanistic assays only and do not imply use in humans.
  • ADME properties to study (general):

    • Solubility limits, microsomal stability, and plasma protein binding typical of moderately lipophilic sulfonamides.
    • Potential for anionic character at high pH due to weakly acidic sulfonamide N–H; ionization state influences permeability and distribution.
  • Assay considerations:

    • When used as a tool compound, maintain consistent cosolvent levels and include vehicle controls due to potential sulfonamide-binding artifacts.
    • Evaluate off-target risks in broad biochemical panels where appropriate; arylsulfonamides can show polypharmacology in enzymatic/cellular assays.

Note: For research use only (per Product Data). No medical or therapeutic assertions are made.

Buffer Applications

This product is a small-molecule organic solid, not a buffering reagent. It does not define a conventional buffer system or buffering range.

  • Practical note (general): If aqueous studies are required, prepare concentrated stocks in DMSO or alcohol and dilute into your chosen buffer (e.g., PBS, HEPES) while keeping final cosolvent ≤1–2% v/v to avoid precipitation and matrix effects.

  • pH effects (general): The sulfonamide N–H is weakly acidic; solubility and ionization can vary with pH. Empirically determine solubility across pH if high aqueous concentrations are needed.

For true buffer formulation guidance, refer to dedicated buffering agents (e.g., phosphate, HEPES, Tris).

Green Alternatives

Clopamide itself is a target compound rather than a process reagent or solvent. “Greener alternatives” therefore focus on solvents and conditions used when handling or analyzing clopamide.

  • Solvent strategy (general guidance):

    • Prefer greener polar solvents where feasible: ethanol and isopropanol over DMF/NMP; water–cosolvent systems with minimal DMSO (≤1% v/v) for bioassays.
    • Replace DMF with safer dipolar aprotics such as propylene carbonate or Cyrene where solubility and assay compatibility allow (method development required).
  • Workup and waste minimization:

    • Use microscale stock preparations at higher concentration to reduce total DMSO volume and waste.
    • Implement solid-phase extraction or miniaturized sample prep for analytical methods to decrease solvent consumption.
  • Comparative considerations (general):

    • DMSO: high solvency; low volatility; moderate EHS profile. Keep volumes minimal in aqueous systems.
    • Ethanol/isopropanol: renewable feedstocks available; good safety profile; may limit concentration for poorly soluble arylsulfonamides.
    • Water with co-solvent: greenest matrix but may require surfactants or pH modification to maintain solubility.

Small comparison (general):

  • Goal: minimize hazardous dipolar aprotics (DMF/NMP) and chlorinated solvents; validate greener substitutes during method development without compromising data quality.
Pharmaceutical Uses

No pharmacopeial status, excipient role, or clinical use information is provided for this SKU. Content below is limited to research/formulation-context notes without therapeutic claims.

  • Research formulation context (general):

    • As a reference small molecule, clopamide can be formulated in DMSO or mixed solvent systems for in vitro assays.
    • For in vivo research in laboratory animals (if applicable within regulations), common vehicles used for arylsulfonamides include PEG400/saline, Captisol solutions, or aqueous systems with limited co-solvent and surfactant; rigorous ethical and regulatory review is required. Item-specific suitability is not established here.
  • Quality considerations:

    • Absence of a pharmacopoeial monograph in the Product Data means no implied compliance with USP/EP/JP standards. Verify identity, purity, and residual solvent content on receipt via the CoA.
  • Stability-indicating methods (general):

    • Develop LC methods to monitor hydrolysis/oxidation products under stress (acid/base, peroxide, light, heat) to support formulation research.

Note: For research use only, not for human or veterinary use (per Product Data).

Physical Properties

Only item-specific physical data appearing in Product Data may be treated as specifications. Values below are either not provided for this item or are general literature context. Always verify with the CoA for this SKU.

  • Appearance (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
  • Melting point: Not specified for this item; refer to CoA/Spec Sheet. (Typical literature values for clopamide exist but are not asserted here as specs.)
  • Boiling point: Not applicable for a high-melting organic solid; decomposition likely before boiling (general literature note).
  • Density: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility:
    • Item-specific solubility: Not specified for this item; refer to CoA/Spec Sheet.
    • Practical laboratory guidance (general knowledge): arylsulfonamide benzamides like clopamide commonly show low aqueous solubility and improved solubility in polar aprotic solvents (e.g., DMSO, DMF) and some alcohols. Stock solutions for screening are often prepared in dry DMSO at 10–50 mM, then diluted into assay buffer with cosolvent <1–2%.
  • logP/logD: Not specified for this item; refer to CoA/Spec Sheet. (Literature computational estimates for arylsulfonamides fall in the moderate lipophilicity range.)
  • pKa: Not specified for this item; refer to CoA/Spec Sheet. (Sulfonamide N–H is typically weakly acidic; exact values vary by substitution, literature.)
  • UV–Vis: Not specified for this item; refer to CoA/Spec Sheet.

Note: Where precise numeric values are critical (e.g., solubility limits, extinction coefficients), rely on lot-specific analytical data or measure under your conditions.

Quality and Grades

Item-specific quality attributes such as grade designation, purity, residual solvents, related substances, and stabilizers are not provided in the Product Data for this SKU.

  • Grade/purity (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
  • Stabilizers/additives (item-specific): Not specified for this item; refer to CoA/Spec Sheet.

How to interpret common grade terminology (general guidance):

  • Research grade: suitable for discovery chemistry, screening, and method development; not intended for human or veterinary use.
  • HPLC/LC–MS grade solute (if specified): typically indicates high chemical purity and low non-volatile/UV-active impurities compatible with analytical work. Absent here; verify on CoA.
  • Pharmacopoeial grade (USP/EP/JP): would indicate monograph compliance; not stated for this product.

Recommended quality verification (best practices):

  • Identity: 1H/13C NMR, HRMS/ESI-MS, and HPLC/UPLC with UV or MS detection. Optional IR for sulfonamide/amide bands.
  • Purity: gradient LC at multiple wavelengths; orthogonal method (TLC or GC if volatile impurities possible). Assess residual water by KF and residual solvents by GC–HS where relevant.
  • Solid-state: DSC/TGA and PXRD can help characterize polymorph/solvate forms if crystallinity matters for your application.

Note: For this SKU, rely on the lot-specific CoA for definitive purity specifications, test methods, and acceptance criteria.

Reaction and Applications

As supplied, clopamide is primarily used as a reference compound and tool molecule in discovery chemistry, analytical method development, and ADME/assay evaluation. The following points provide research-focused, non-clinical applications and handling tips.

  • Research applications (general):

    • Analytical standards: develop/validate LC–UV/LC–MS methods (retention, fragmentation of arylsulfonamides), stability-indicating methods (acid/base/oxidative stress studies), and impurity profiling.
    • Physicochemical profiling: solubility, pKa (sulfonamide acidity), logD vs pH, permeability (PAMPA/MDCK) for SAR and formulation research.
    • Crystallization and solid-state studies: polymorph/solvate screening of sulfonamide benzamides.
  • Synthetic context (general):

    • While clopamide is a finished molecule rather than a generic building block, related transformations include amide couplings and sulfonamide formations used in its synthesis (e.g., coupling of a substituted anthranilate/benzoate with amines, followed by sulfonylation; literature background).
  • Practical handling tips (general):

    • Dry compound under vacuum over P2O5 or in a desiccator if moisture uptake is suspected before preparing precise gravimetric solutions.
    • Protect from strong light/oxidants during long-term stability studies; monitor by LC for degradants such as hydrolysis or dechlorination (general aryl chloride note).

Note: No medical or clinical use is implied; for research use only (per Product Data).

Reaction Conditions

No item-specific reaction conditions apply because clopamide is supplied as a target compound, not a reagent. Nevertheless, if you are preparing analogs or derivatives, the following literature-general conditions are typical for related functional groups. These are not specifications for this SKU.

  • Sulfonamide formation (general):

    • Amine + sulfonyl chloride (1.0–1.2 eq) in dichloromethane, THF, or acetonitrile with base (Et3N, pyridine, or NaHCO3), 0–25 °C, 1–4 h; aqueous workup, 60–95% yields (literature ranges).
  • Amide coupling (general):

    • Carboxylic acid + amine with HATU/DIPEA or EDCI/HOBt in DMF/DCM, 0–25 °C, 2–16 h; 50–95% yields depending on sterics (literature ranges).
  • Aryl chloride cross-coupling (if applicable to the scaffold, general):

    • Suzuki–Miyaura: Pd(dppf)Cl2 (1–3 mol%), K2CO3 or K3PO4, dioxane/H2O or toluene/H2O, 60–100 °C, 4–16 h.
    • Buchwald–Hartwig amination: Pd2(dba)3 or Pd(OAc)2 with bulky phosphine ligand, NaOtBu, toluene/dioxane, 80–110 °C.
  • Stability studies (general):

    • Forced degradation in 0.1 M HCl/NaOH, 3% H2O2, or photolysis; monitor by LC to establish stability-indicating methods for clopamide and analogs.

Note: Optimize conditions for your specific substrate and protect sulfonamide/amide groups as needed. These are literature-style examples and not guarantees for clopamide itself.

Safety and Handling

Safety data specific to this SKU are not fully provided. The guidance below is general best practice for arylsulfonamide organic research chemicals. Always consult the SDS for authoritative information before use.

  • GHS classification (item-specific): Not specified for this item; refer to SDS.
  • Signal word / hazard statements / pictograms: Not specified for this item; refer to SDS.

General laboratory precautions:

  • PPE: lab coat, nitrile gloves, safety glasses. Use additional skin/eye protection for weighing and solution prep. Avoid inhalation of dust and contact with skin/eyes.
  • Engineering controls: handle powders in a fume hood or enclosure to minimize dusting; avoid aerosol formation when preparing solutions.
  • Incompatibilities (general): strong oxidizers and strong bases/acids may degrade amide/sulfonamide functionalities. Avoid excessive heat; thermal decomposition may produce hazardous fumes.
  • First aid overview (general):
    • Inhalation: move to fresh air; seek medical advice if symptoms persist.
    • Skin/eye contact: rinse with water for ≥15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
    • Ingestion: rinse mouth; do not induce vomiting; obtain medical attention.
  • Spill response: avoid dust generation; collect solids by gentle sweeping or HEPA vacuum; wipe area with suitable solvent and detergent; dispose according to local regulations.
  • Fire: use CO2, dry chemical, or foam. Combustion may release COx, NOx, SOx, HCl.

Storage and shipping (item-specific):

  • Storage: Store at 2–8°C (per Product Data). Keep tightly closed in a dry, inert atmosphere and protected from light.
  • Shipping: Shipped on wet ice (per Product Data).
Solvent Selection

Clopamide is a neutral arylsulfonamide benzamide that generally behaves as a moderately lipophilic, weakly acidic organic solid. Item-specific solubility data are not provided; the following are practical, literature-based considerations for solvent choice.

  • Likely solvent classes (general guidance):

    • Polar aprotics (preferred for stock solutions): DMSO, DMF, NMP typically provide the highest solubility for arylsulfonamides.
    • Protic solvents: methanol, ethanol, isopropanol may dissolve at modest concentrations; water solubility is usually low unless co-solvents or pH adjustment are used.
    • Aqueous buffers: limited intrinsic solubility; consider cosolvent (≤1–2% DMSO) or forming salts if a suitable basic site exists (may be limited for sulfonamides).
  • Tips for solution prep (general):

    • Prepare concentrated DMSO stocks (e.g., 10–50 mM), filter through 0.22 µm PTFE/nylon if needed, and dilute into assay media last to minimize precipitation.
    • Warm gently (≤40 °C) and sonicate briefly to aid dissolution; avoid prolonged heating.
    • Check for supersaturation and precipitation upon dilution; add surfactant (e.g., 0.01% Tween-80) if compatible with your assay.
  • Comparison (general):

    • DMSO: highest solvency, excellent for screening; can affect biological assays at >0.5–1% v/v.
    • DMF/NMP: strong solvency but less favored in bioassays; consider for synthetic or analytical preparations.
    • Alcohols: greener but may not reach high concentrations.

Always validate solvent compatibility with your downstream assay or synthetic step.

Storage and Reconstitution
  • Storage conditions (item-specific): Store at 2–8 °C (per Product Data). Keep container tightly closed in a dry, well-ventilated place. Protect from light and moisture.

  • Shipping: Supplied on wet ice (per Product Data).

  • Reconstitution and stock solution guidance (general):

    • For analytical or screening use, prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM). Mix by vortex and brief sonication. If needed, gently warm to ≤40 °C to aid dissolution.
    • Filter stocks (0.22 µm PTFE) if particulate remains. Dispense into single-use aliquots to avoid repeated freeze–thaw of solutions.
    • Working solutions: dilute into assay buffer or media as the final step, keeping DMSO ≤1–2% v/v to limit precipitation and biological matrix effects.
  • Stability considerations (general):

    • Solid state: store desiccated; allow vial to warm to room temperature before opening to prevent moisture condensation.
    • Solutions: DMSO stocks are commonly stable for weeks at 2–8 °C and longer at −20 °C; verify by LC–MS/LC–UV before critical experiments. Avoid prolonged exposure to light and air.
  • Specifications not provided for this item:

    • Appearance, exact solubility, and solution stability limits are not specified for this item; refer to CoA/Spec Sheet or determine empirically under your conditions.

For research use only (per Product Data).

Structure and Identity

Intro: This product is supplied as the small-molecule research chemical clopamide. The specific identifiers provided with this item are limited; item-specific unknowns are explicitly noted below.

  • Item-specific identifiers (from Product Data):

    • CAS: 636-54-4
    • PubChem CID: 12492
    • InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Provided entry “195542” is not a complete InChIKey.)
    • 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 description; not item-specific specifications):

    • Clopamide is an arylsulfonamide bearing a sulfonamide functional group attached to a chlorinated benzamide scaffold (literature).
    • Key functional groups (literature): aromatic chloride (Ar–Cl), sulfonamide (–SO2–NH–), and amide (–CONH–). These groups confer hydrogen-bond donor/acceptor capacity and moderate polarity typical of research-grade arylsulfonamides.
    • 2D structural description (literature): a monosubstituted chloro-phenyl ring bearing a sulfonamide and an amide substituent in defined positions on the ring; no stereogenic centers are present in the parent structure.
  • Stereochemistry: None expected (literature); clopamide is typically isolated as an achiral single chemical entity.

Note: For authoritative identity confirmation for this specific lot (e.g., NMR, LC–MS, HPLC purity, exact formula/MW), consult the product’s CoA/Spec Sheet.

Synthetic Utility

Although clopamide is a finished small molecule rather than a generic synthon, understanding the functional groups informs derivatization and analog synthesis in medicinal chemistry.

  • Reactive motifs (general literature):

    • Aryl chloride: potential site for cross-coupling (e.g., Suzuki–Miyaura, Buchwald–Hartwig amination) if the ring position and electronics allow; however, in many drug-like scaffolds, the Ar–Cl is retained for binding or stability.
    • Sulfonamide (–SO2–NH–): weakly acidic N–H can be deprotonated for N-alkylation/acylation to prepare analogs; also engages in strong H-bonding, impacting potency and PK.
    • Amide (–CONH–): generally robust but can participate in coupling/fragmentation strategies for scaffold hopping (amide exchange via activated intermediates).
  • Typical transformations used in route design (general):

    • Sulfonylation of an aniline or amine with aryl/alkyl sulfonyl chlorides to install the sulfonamide.
    • Amide bond formation via acid chlorides, activated esters, or coupling reagents (e.g., EDCI/HOBt, HATU).
    • Late-stage diversification around the aryl ring via selective metalation or cross-coupling, if compatible with the sulfonamide.
  • Analytical support:

    • Monitor reactions by LC–MS at multiple wavelengths (210–330 nm) to track sulfonamide/amide-containing species.
    • Characterize final products with 1H/13C NMR (diagnostic downfield NH signals), IR (S=O stretches ~1150–1350 cm⁻¹; amide C=O ~1630–1690 cm⁻¹; literature general ranges).
Target Specificity

This product is a small-molecule chemical and is not an antibody, enzyme, or oligonucleotide. No antigen/epitope or biological target specificity data are provided in the Product Data for this SKU.

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

Any mechanistic interactions referenced in literature are provided only as background for research planning and should be experimentally confirmed under your conditions.

よくある質問

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.
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 636-54-4, the molecular formula is C14H20ClN3O3S, and the molecular weight is 345.84 g/mol. InChIKey LBXHRAWDUMTPSE-AOOOYVTPSA-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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