ACHP Hydrochloride - 10mM in DMSO , CAS No.406209-26-5

CAS: 406209-26-5 Cat. No.: A655548 Summenformel: C₂₁H₂₅ClN₄O₂ Molekulargewicht: 400.90 PubChem CID: 136216943

GRADE & PURITY 10mM in DMSO

Storage

Argon charged,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

ACHP Hydrochloride (IKK-2 Inhibitor VIII) is a highly potent and selective IKK-β inhibitor with an IC 50 of 8.5 nM.

In Vitro

ACHP Hydrochloride (Compound 4j) exhibits potent IKK-β inhibitory (IC 50 : 8.5 nM) and cellular activities (IC 50 =40 nM, in A549 cells). ACHP moderately inhibits IKK-α with an IC 50 of 250 nM but exhibits good selectivity towards other kinases, such as IKK3, Syk and MKK4 (IC 50 >20,000 nM). Moreover, ACHP demonstrates quite potent activity in various cellular assays. ACHP inhibits NF-κB-dependent reporter gene activation in TNFα-activated HEK293 cells and PMA/calcium ionophore-activated Jurkat T cells. ACHP fails to inhibit PMA-induced AP-1 activation in MRC-5 cells and PMA/calcium ionophore induced NF-κB dependent reporter gene transcription in Jurkat cells even at concentrations exceeding 10 μM. ACHP selectively interferes with the NF-κB signaling cascade by inhibition of IKK-β in living cells. ACHP inhibits the growth of these cells in a dose-dependent manner. Tax-active cell lines are more susceptible to ACHP than Tax-inactive cell lines and Jurkat (IC 50 values in Tax-active cell lines, Tax-inactive cell lines or Jurkat are 3.1±1.3 μM, 10.7±1.7 μM and 23.6 μM, respectively), suggesting that the growth of Tax-active cells depends on NF-κB more than Tax-inactive cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

ACHP (Compound 4j) is orally bioavailable in mice and rats and demonstrates significant in vivo activity in anti-inflammatory models (arachidonic acid-induced mouse ear edema model). ACHP has reasonable aqueous solubility (0.12 mg/mL in pH 7.4 isotonic buffer) and excellent Caco-2 permeability (P app 62.3×10 -7 cm/s), and demonstrates orally bioavailability in mice (BA: 16%) and rats (BA: 60%). The favourable bioavailability of ACHP in rats is likely due to its low clearance (0.33 L/h/kg). In an acute inflammation model, ACHP exhibits oral efficacy at 1 mg/kg in a dose-dependent manner . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Assay

HTLV-1-infected T-cell lines, ATL-35T, 81-66/45, MJ, and MT-2 cells, human ATL cell lines established from ATL patients, ATL-102, ED-40515(−) and TL-Om1 cells, and a HTLV-1-negative T-cell leukemia cell line Jurkat are used in this study. Approximately 1.5×10 4 cells are cultured in 96-well plate in triplicates at 37°C. Growth inhibitory effect of ACHP (0.01, 0.1, 1, 5, 10, 50 and 100 μM) is determined using MTT assay. Optical densities (OD) at 570 and 630 nm are measured with multiplate reader. Cell viability (%) is calculated. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

IC50& Target:IKK-β 8.5 nM (IC 50 ) IKK-α 250 nM (IC 50 )

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

ACHP Hydrochloride (IKK-2 Inhibitor VIII) is a highly potent and selective IKK-β inhibitor with an IC 50 of 8.5 nM.

Storage

Argon charged,Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

• Isomere SMILES: C1CC1COC2=CC=CC(=C2C3=NC(=C(C(=C3)C4CCNCC4)C#N)N)O.Cl
• PubChem CID: 136216943
• Molekulargewicht: 400.90

Application Protocols

No manufacturer-verified application protocols are provided for this product. The following is general guidance for deploying small-molecule research compounds in biochemical or cell-based assays. Adjust to your system and validate experimentally.

• Stock preparation:
  • Prepare a concentrated DMSO stock (e.g., 10 mM). Vortex/sonicate to dissolve fully; avoid heating above 40 °C unless stability is verified.
  • Sterile-filter (0.22 µm) if sterility is required and the compound is filter-stable.
• Aliquoting and storage:
  • Dispense single-use aliquots under inert gas into low-bind tubes or crimp vials. Store at −80 °C as specified.
• Dosing:
  • Dilute into assay media to the desired final concentration range, maintaining consistent vehicle (DMSO) percentage across all wells (commonly ≤0.1–0.5% v/v).
  • Perform an 8–12 point dose–response (e.g., half-log serial dilutions) to determine potency metrics.
• Controls:
  • Include vehicle controls and, when available, a known positive control targeting the same pathway for benchmarking.
• Quality control:
  • Confirm identity/integrity by LC–MS or HPLC upon first use and periodically thereafter.

Because item-specific protocols are not supplied, treat the above as starting guidance and tailor to your assay requirements.

Biological Roles

This listing is for a small-molecule research compound supplied as a hydrochloride salt. No biological target, pathway, or mode-of-action is provided in the Product Data for this specific item.

General guidance for use of small-molecule research tools (not item-specific):

• Role in chemical biology: Such compounds are commonly used to modulate biochemical pathways or protein function in vitro or in cells, supporting target validation, mechanism studies, and phenotypic profiling.
• Controls and orthogonal validation:
  • Always include appropriate vehicle controls (e.g., DMSO only) and, when available, orthogonal tool compounds with distinct chemotypes to confirm on-target effects.
  • Employ counter-screens to exclude assay interference (redox cycling, aggregation, fluorescence quenching). Consider use of detergents (e.g., 0.01% Triton X-100) to mitigate colloidal aggregation during screening.
• Physicochemical considerations:
  • Ionization state (as an HCl salt) may influence cell permeability and apparent potency; free base vs. salt form can behave differently across assays. Measure pH and osmolarity after dosing to avoid assay artifacts.

Because specific biological roles for ACHP Hydrochloride are not provided here, consult primary literature and confirm activity under your assay conditions with appropriate positive controls and dose–response studies. No medical or clinical uses are implied; for research use only.

Buffer Applications

This product is a small-molecule research compound, not a buffering agent. As such, it is not typically used to prepare or maintain buffer pH.

Practical notes when dosing into buffers (general):

• Use established biological buffers (e.g., PBS, HEPES, Tris) at their recommended pH ranges and ionic strengths. Prepare the compound as a concentrated stock (often in DMSO) and dilute into buffer to a low final organic percentage (≤0.1–0.5% v/v) to minimize effects on buffer capacity and cells/enzymes.
• Verify that the compound remains in solution upon dilution into aqueous buffer by visual inspection or analytical confirmation (UV/Vis or HPLC). If precipitation occurs, increase the DMSO carryover slightly within assay tolerance or warm gently.

For specific buffer recipes or compatibility, refer to your assay SOPs and confirm stability and solubility empirically for this compound under intended conditions.

Green Alternatives

Because this product functions as a specific small-molecule research tool rather than a process solvent or bulk reagent, “green alternative” evaluation focuses on how you formulate, handle, and dispose rather than substituting the active itself.

• Solvent choices:
  • Prefer water or aqueous buffers whenever solubility and stability permit.
  • If an organic stock is required, DMSO is often favored over DMF due to lower volatility and better hazard profile. Ethanol or aqueous ethanol may be acceptable co-solvents for some assays.
• Preparation and scaling:
  • Use microscale preparation and miniaturized assays (384-/1536-well formats) to reduce material consumption and waste.
  • Employ closed, inerted vials to extend shelf life and minimize repeated freeze–thaw and waste.
• Waste and disposal:
  • Segregate halogenated vs non-halogenated waste according to local regulations. Although chloride is present as counterion, the organic component determines waste classification.
• Packaging and storage practices:
  • Maintain at −80 °C under argon as specified to minimize degradation and avoid generating degraded waste.

Trade-offs (general):

• Water-based systems are greener but may reduce solubility or stability; DMSO improves solubility but introduces disposal considerations. Optimize for the lowest effective organic cosolvent percentage that preserves assay performance.

Pharmaceutical Uses

No excipient or pharmacopeial status is provided for this item. This product is offered strictly for research use and not for human or veterinary use, clinical diagnostics, or as an API/excipient.

General formulation context for small-molecule hydrochloride salts (non-therapeutic, research-only):

• Hydrochloride salts are frequently selected in discovery research due to their enhanced aqueous solubility and solid-state stability compared to free bases, enabling reliable preparation of stock solutions for in vitro assays.
• When formulating for preclinical research experiments (e.g., in vitro ADME or exploratory in vivo method development), typical vehicles may include aqueous buffers with co-solvents/surfactants (e.g., water or saline with DMSO, PEG 400, Captisol, or polysorbate) subject to institutional approvals. Such use cases must remain within non-clinical, regulated research frameworks.

No claims are made regarding therapeutic application, safety, efficacy, or regulatory status. Consult your institutional policies and perform internal risk assessments for any nonclinical formulation development.

Physical Properties

Item-specific physico-chemical specifications are not provided in the Product Data. Do not use the following as specifications for acceptance; consult the CoA/Spec Sheet for definitive values.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature, for many small-molecule HCl salts): commonly forms crystalline solids with melting point ranges dependent on molecular scaffold; exact MP for ACHP·HCl is not provided here.
• Boiling point: Not applicable for a non-volatile organic salt; decomposition typically precedes boiling (general guidance).
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility (general guidance, not item-specific): hydrochloride salts often show improved solubility in water and polar protic solvents (water, methanol, ethanol) and in polar aprotic solvents such as DMSO. Actual solubility for ACHP·HCl should be determined empirically.
• LogP/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

Practical notes (general):

• Perform a small-scale solubility screen in water, PBS (pH 7.4), DMSO, and methanol at room temperature and 37 °C to determine working concentrations for assays.
• Hydrochloride salts can be hygroscopic; weigh rapidly and accurately using a pre-dried vessel under low humidity or inert gas as recommended for this item.

Quality and Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet. The CoA will document assay method (e.g., HPLC/UV), purity percentage, and any residual solvent or related substances as controlled by our internal specification.

Interpreting common grades (general guidance):

• Research grade: Suitable for discovery research, screening, and chemical biology. Typical controls include identity (NMR/MS), purity (HPLC), and appearance; low-level inorganic/metal specifications are not implied unless stated.
• HPLC or LC–MS grade (when stated): Emphasizes low UV background and minimal volatile/UV-active impurities, facilitating chromatographic or bioassay use.
• Salt form considerations: Hydrochloride salts improve handling and solubility profiles versus the free base; the CoA typically indicates counterion content (chloride %) and water content if applicable (e.g., hydrate state). For this item, such details are Not specified and should be confirmed on the CoA.

What is specific to this listing:

• Storage is stringent (argon, −80 °C), indicating sensitivity to moisture, oxygen, and/or thermal degradation. Users should maintain these conditions post-receipt.

Recommendation:

• For quantitative work, request or download the current CoA and Specification Sheet for this lot to verify identity tests, purity assay, residual solvents, water content, and any stabilizers or form (anhydrous vs. hydrate).

Reaction and Applications

Primary use-case: This product is cataloged under small molecules/compound libraries for research use. It is generally employed as a chemical probe or screening hit/standard in biochemical or cell-based assays rather than as a synthetic reagent.

• Assay applications (general, not item-specific):
  • Tool compound in pathway interrogation, target validation, and phenotypic screening.
  • Positive/negative control in high-throughput screening (HTS) cascades when a defined activity is established in the literature for the specific molecule.
• Practical tips for assay deployment:
  • Prepare concentrated DMSO stocks (e.g., 10 mM), filter if compatible, and aliquot under inert atmosphere.
  • Verify compound integrity by LC–MS or HPLC after thawing and periodically during study to rule out hydrolysis/oxidation.
  • Establish an appropriate vehicle control matching final DMSO content.
• Not typically used for synthetic transformations: Hydrochloride salts of bioactive molecules usually lack orthogonal functional handles or are not employed as reagents/catalysts. If derivatization is intended, consider obtaining the corresponding free base and consult stability/compatibility data.

Note: Because no manufacturer application notes are provided for this item, users should consult primary literature on ACHP for mechanistic context, target class, and benchmark assay conditions, then validate in-house with small-scale pilot studies.

Reaction Conditions

This product is not positioned as a reagent for synthetic transformations; therefore, specific reaction conditions are not generally applicable.

General laboratory operations that may be relevant (non-item-specific):

• Salt–base interconversion: To obtain the free base from a hydrochloride salt, dissolve in water, basify carefully (e.g., NaHCO3 or Na2CO3 to pH ~9–10), and extract into an appropriate organic solvent (e.g., EtOAc). Dry organic layer and concentrate under reduced pressure. All steps must be validated for the specific compound’s stability.
• Stock solution preparation: Dissolve accurately weighed solid in high-purity DMSO or water to prepare concentrated stocks (e.g., 10–50 mM). Filter through 0.22 µm PTFE/nylon if compatible. Avoid elevated temperatures unless stability is known.
• Stability checks: Establish stability by LC–MS or HPLC after 24–48 h at room temperature and during refrigerated/frozen storage to confirm suitability for planned workflows.

If you intend to use this compound in any chemical reaction, first consult the CoA/Spec Sheet for structural details and evaluate compatibility via small-scale trials.

Safety and Handling

Authoritative safety information must be taken from the product SDS. The following summarizes available Product Data and general best practices for organic hydrochloride salts.

• GHS classification, signal word, H-statements, pictograms: Not specified for this item; refer to SDS.
• Known storage directives (Product Data):
  • Store under argon (argon charged) at −80 °C.
  • Shipped on dry ice packs + cold packs. Maintain cold chain and inert atmosphere on receipt.
• Potential hazards (general for small-molecule HCl salts):
  • May cause irritation to skin, eyes, and respiratory tract. Dust may be harmful if inhaled. Avoid aerosol/dust generation.
  • Hydrochloride salts can be mildly acidic in aqueous media; avoid contact with bases and reactive metals that evolve hydrogen in acidic conditions.
• Incompatibilities (general): Strong bases, strong oxidizers, and moisture for materials designated as moisture-sensitive.
• PPE: Lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Use in a chemical fume hood.
• First aid (general):
  • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
  • Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical attention as needed.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
• Handling tips:
  • Work quickly on a cold surface if thawed; minimize exposure to ambient humidity.
  • For solution handling, purge vials with inert gas after use and store aliquots at recommended temperature to avoid degradation.

Solvent Selection

This product is a small-molecule hydrochloride salt used primarily for research applications. Item-specific solubility is not provided; therefore, the following is practical, general guidance for establishing a working solvent system. Do not treat it as a specification.

• Polarity class (general): Organic hydrochloride salts are polar and frequently exhibit good solubility in water and highly polar organic solvents (DMSO, DMF, methanol). The free base (if generated) can be more soluble in less polar organics (EtOAc, CH2Cl2) than the salt.
• Recommended solubility screen (stepwise):
  1. Attempt dissolution in DMSO at 10–50 mM with gentle warming (<40 °C) and vortex/sonication.
  2. If aqueous use is required, prepare a DMSO stock (e.g., 10 mM) and dilute into buffered saline (PBS, pH 7.4) to ≤0.1–0.5% DMSO v/v, monitoring for precipitation.
  3. Alternatively, dissolve directly in water or PBS; mild basification (pH 7.4–8.0) can sometimes improve dissolution of weak-base salts, but confirm compound stability before pH adjustment.
• Co-solvent approaches: MeOH/H2O or EtOH/H2O mixtures can aid dissolution when neat water is inadequate. Avoid strong acids/bases unless stability is established.
• Comparison (general):
  • DMSO: maximal solubilizing power for diverse small molecules; compatible with most biochemical assays at ≤0.5% v/v.
  • Water/PBS: preferred for in vitro biology when solubility allows; lowest background.
  • DMF: strong solvent but less desirable for biological assays due to toxicity and water miscibility issues.

Always confirm solubility, stability, and absence of precipitation by visual inspection and, when critical, by UV/Vis or HPLC.

Storage and Reconstitution

• Storage conditions (Product Data):
  • Store at −80 °C under inert gas (argon charged). Maintain container tightly closed to limit moisture and oxygen ingress.
  • Shipped on dry ice packs + cold packs. Inspect upon receipt; if thawed, promptly re-freeze after confirming container integrity.
• Stability considerations (general for small-molecule HCl salts):
  • Potentially sensitive to hydrolysis and oxidation at ambient temperature or in moist air. Hygroscopic behavior is possible; minimize time at room temperature and exposure to humidity.
• Reconstitution guidelines (general, not item-specific):
  1. Equilibrate the sealed vial on dry ice or in a −20 °C environment briefly to avoid condensation; then open in a dry box or under an argon blanket if available.
  2. For stock solutions, dissolve in anhydrous DMSO or water to a convenient concentration (e.g., 10–50 mM). Mix gently (vortex/sonication). Avoid excessive heat.
  3. If particulate remains, confirm solubility limits; do not force dissolution with strong acid/base unless stability is established.
  4. Sterile-filter through 0.22 µm if required by your application and compatible with the compound/solvent.
  5. Aliquot single-use volumes in inerted, labeled, low-bind vials. Flush headspace with argon, cap tightly, and return to −80 °C immediately.
• Freeze–thaw management:
  • Avoid repeated freeze–thaw. Thaw aliquots on ice just before use and keep exposure to ambient conditions minimal.

Always refer to the CoA/Spec Sheet and SDS for lot-specific stability and safety information. For research use only.

Structure and Identity

• Product name: ACHP Hydrochloride (SKU: A655548)
• CAS: 406209-26-5; PubChem CID: 136216943
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: 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-level, not item-specific):

• ACHP Hydrochloride is a small-molecule organic salt where the free base ("ACHP") is protonated and paired with chloride. Hydrochloride salts often increase aqueous solubility and improve solid-state stability versus the corresponding free base.
• Typical features of drug-like hydrochloride salts include one or more basic nitrogen atoms (e.g., amine/aza-heterocycle) capable of forming a stable ammonium chloride in the solid state. However, specific functional groups for this item are not provided in the Product Data.

2D structural description (generic for hydrochloride salts):

• The cationic organic moiety (protonated base) is associated ionically with Cl−. The protonated nitrogen may be aliphatic or aromatic (e.g., tertiary amine, piperidine, imidazole, etc.). Exact ring systems and substituents for ACHP are not specified here and should be confirmed from the CoA/Spec Sheet or primary literature for ACHP.

Synthetic Utility

This product is primarily intended as a bioactive small-molecule standard or library member rather than a synthetic building block or reagent. Consequently, its direct use in synthetic methodology is limited.

General considerations for hydrochloride salts in synthesis (non-item-specific):

• Handling: The hydrochloride form can simplify weighing and improve solution preparation in polar media. If neutral (free base) chemistry is required, the base can often be liberated by basification and extraction; ensure the target compound is stable under the chosen conditions.
• Protection/derivatization: Protonated amines are less nucleophilic; reactions that require a free amine (e.g., acylation, sulfonylation) generally necessitate prior neutralization and drying. Verify that the molecule lacks other sensitive functional groups before attempting derivatization.
• Purification: Conversion to a salt can aid isolation and crystallization; conversely, to recover the free base, adjust pH to basic and extract into an organic solvent, monitoring by LC–MS.

If your objective is to derivatize ACHP, consult detailed structural information (CoA/Spec Sheet or primary literature) to identify reactive handles and assess stability to acids/bases, oxidants/reductants, and temperature.

Target Specificity

No target information is provided in the Product Data for this item. Accordingly:

• Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet or primary literature.
• Species reactivity, clone/isotype (if antibody), epitope details: Not applicable to this small-molecule product.

Users intending to apply this compound as a tool molecule should consult peer-reviewed literature on ACHP to identify reported targets and benchmarks, then confirm activity and selectivity under their own assay conditions.

Häufig gestellte Fragen

How should this product be stored?

Store at ?80 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 406209-26-5, the molecular formula is C21H25ClN4O2, and the molecular weight is 400.90 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.