MitoBloCK-10 - ≥98% , CAS No.394694-98-5

CAS: 394694-98-5 Cat. No.: M649685 Formula: C₁₂H₈FN₃O₃S Molecular Weight: 293.28 PubChem CID: 6895129

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MitoBloCK-10 (MB-10) is the first small molecule modulator to attenuate protein-associated motor (PAM) complex activity. MitoBloCK-10 (MB-10) inhibits Tim44 (C-terminal domain) binding to the precursor and to Hsp70.

In Vitro

MB-10 (100 μM) is a potential attenuator of protein import into mitochondria. ?\nMB-10 inhibits the import of substrates that use the TIM23 import pathway. ?\nMB-10 (0-100 μM) inhibits protein import into mammalian mitochondria. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: A plasmid expressing Su9-Ura3-myc was integrated at the LEU2 locus in WT and tim23-2 strains. Concentration: 100 μM. Incubation Time: 30 min. Result: WT strain expressing Su9-Ura3 failed to grow, whereas the tim23-2 mutant expressing Su9-Ura3 grew much faster. The strains grew at a similar rate when the medium was supplemented with uracil. Cell Viability AssayCell Line: HeLa cells. Concentration: 0-100 μM. Incubation Time: 24 h. Result: Inhibited HeLa cells vibility, with an IC 50 of 17.2 μM.

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

MitoBloCK-10 (MB-10) is the first small molecule modulator to attenuate protein-associated motor (PAM) complex activity. MitoBloCK-10 (MB-10) inhibits Tim44 (C-terminal domain) binding to the precursor and to Hsp70.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

Canonical Smiles

C1=CC(=CC(=C1)F)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]

IUPAC Name

3-fluoro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide

InChIKey

QDYQZMWFIYLMNX-VGOFMYFVSA-N

INCHI

1S/C12H8FN3O3S/c13-9-3-1-2-8(6-9)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h1-7H,(H,15,17)/b14-7+

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]

PubChem CID

6895129

Molecular Weight

293.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: 2-nitrothiophenes Benzoyl derivatives Nitroaromatic compounds 2,5-disubstituted thiophenes Fluorobenzenes Aryl fluorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Organofluorides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl fluoride - Aryl halide - Thiophene - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (426.23 mM; Need ultrasonic)
• Molecular Weight: 293.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 293.027 Da
• Monoisotopic Mass: 293.027 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 402.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Application Protocols

No manufacturer-validated application protocols are provided in the product data for this item.

General starting framework (for planning only; confirm with literature for MitoBloCK-10):

• Stock preparation: dissolve in anhydrous DMSO, prepare single-use aliquots (e.g., 10 mM), store at −20 °C protected from light.
• Cell treatment: dilute stock into pre-warmed culture medium to desired final concentration; keep vehicle constant (≤0.1–0.5% v/v). Include vehicle-only controls.
• Readouts: select endpoints relevant to mitochondrial import/function (e.g., import reporter assays, mitochondrial membrane potential, oxygen consumption), ensuring compatibility with the solvent and dosing schedule.
• Data quality: run dose–response (8–12 points) with technical replicates; include time-course where mechanism suggests rapid onset.

These points are provided as general guidance; consult peer-reviewed methods specific to MitoBloCK-10 before executing experiments.

Biological Roles

Context from literature (for the MitoBloCK series, including MitoBloCK-10):

• MitoBloCK compounds are described as small-molecule inhibitors used to perturb mitochondrial protein import/oxidative folding machinery in basic biology. Researchers have applied them to study mitochondrial biogenesis, intermembrane space (IMS) protein maturation, and organelle stress responses.
• Potential readouts include changes in import efficiency of reporter proteins, alterations in mitochondrial morphology, redox state, and respiratory competence in cell or model systems.

Item-specific caveat:

• The exact molecular target(s), binding site, and potency parameters for MitoBloCK-10 are not specified in the product data provided. Users should consult primary peer-reviewed sources associated with CAS 394694-98-5 or PubChem CID 6895129 to obtain mechanistic details, recommended concentrations, and selectivity profiles.

Good research practice:

• Validate on-target effects with orthogonal assays (e.g., import reporters, genetic knockdowns/knockouts of candidate targets).
• Control for vehicle effects and general cytotoxicity using viability assays and mitochondrial health indicators (e.g., membrane potential dyes) when appropriate.

This product is for research use only and is not intended for diagnostic, therapeutic, or clinical applications.

Buffer Applications

Not typically applicable. MitoBloCK-10 is a bioactive small molecule, not a buffering agent. It does not define a pH range or provide buffering capacity.

Practical notes for assay buffers (general):

• When delivering MitoBloCK-10 to biochemical or cell assays, maintain a constant vehicle percentage (e.g., DMSO) across conditions.
• Use standard biological buffers (e.g., HBSS, PBS, HEPES-buffered media) validated for your assay. Confirm compound stability in the chosen buffer over the dosing period.
• Avoid adsorption losses by minimizing exposure to untreated polystyrene; use low-binding vessels if recovery is critical.

Green Alternatives

For small-molecule tool compounds, “green alternatives” pertain mainly to solvent systems and handling practices rather than substituting the bioactive itself.

Greener solvent considerations (general):

• Prefer DMSO over DMF for stock solutions when feasible (lower toxicity/volatility concerns in routine cell culture handling).
• Where aqueous compatibility allows, use buffered saline or culture media with minimal DMSO (≤0.1–0.2% v/v) to reduce solvent burden.
• Explore solubilization aids such as hydroxypropyl-β-cyclodextrin (HPβCD) to lower DMSO content in sensitive assays.

Comparison (general, not item-specific):

• DMSO: broadly accepted in bioassays; safer handling profile than many dipolar aprotic solvents.
• Ethanol: renewable feedstocks possible; volatility can increase lab emissions (capture with closed systems).
• PEG 300/400: low volatility carriers; may alter assay viscosity and compound diffusion; verify biological compatibility.

Operational practices to improve sustainability:

• Use small, single-use aliquots to minimize freeze–thaw and waste.
• Employ low-adsorption plastics to reduce compound loss and re-dosing.
• Plan dose–response plates to minimize excess solution preparation.

Note: No greener “analogue compound” exists for pathway-specific biological modulation; selection is driven by mechanistic fit rather than EHS profile.

Pharmaceutical Uses

Not applicable for this catalog item. MitoBloCK-10 is supplied strictly for research use only and is not intended for human or veterinary use, drug substance manufacturing, or ex vivo/in vivo clinical applications.

Formulation context (general laboratory use):

• If administered to cells or isolated organelles, typical practice is to prepare a concentrated DMSO stock and dilute into the medium or assay buffer immediately before use. Maintain consistent vehicle controls.
• No pharmacopeial status, excipient role, or GMP manufacturing attributes are provided or implied for this product.

Physical Properties

Item-specific physico-chemical specifications are not provided in the current product data. Do not treat literature values as specifications for QC release; always consult the lot-specific CoA.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not applicable/unknown for this solid small molecule; Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility:
  • Typical practice (literature/general): many bioactive small molecules in the MitoBloCK series are soluble in DMSO to ≥10 mM; aqueous solubility may be limited without co-solvent. Verify experimentally for this item.
  • Item-specific: Not specified for this item; refer to CoA/Spec Sheet.
• LogP, pKa, refractive index, UV-Vis characteristics: Not specified for this item; refer to CoA/Spec Sheet.

Practical notes (general, not specifications):

• Prepare small trial stocks (e.g., 5–20 mM in anhydrous DMSO) to assess solubility and stability; filter-sterilize only if chemically compatible.
• Avoid repeated thermal cycling; keep aliquots at −20 °C protected from light to mitigate potential degradation.

Quality & Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet for assay method (e.g., HPLC area%) and impurity profile.

How to interpret grades (general guidance):

• Research grade compounds are typically qualified by identity (NMR/HRMS) and purity (e.g., HPLC) sufficient for in vitro/in-cellulo work. Low non-volatile residue (NVR) and absence of stabilizers are preferred for biological assays unless otherwise disclosed.
• If HPLC/LC-MS purity is provided on the CoA, note the detection wavelength(s), since UV chromophores can bias apparent purity. Orthogonal characterization (1H NMR) is recommended for critical studies.
• Endotoxin/bioburden: usually not controlled for small molecules; if your application requires these attributes, perform in-house testing or request additional documentation.

Batch-to-batch considerations:

• Verify lot-specific potency/IC50 only via primary literature or in-house benchmarking; small variations in polymorph or solvate content can influence apparent solubility and activity.
• If stabilizers or form (free base vs. salt, solvate) are relevant, they will be listed on the CoA. For this item, no such details are specified in the product data.

Reaction & Applications

This product is intended as a research tool compound, not a synthetic reagent. As such, classical synthetic reaction families (e.g., cross-coupling, reductions, protections) are not typically applicable to end users.

Research applications (literature context for the MitoBloCK series):

• MitoBloCK compounds have been used to perturb mitochondrial protein import/oxidative folding pathways in basic research, enabling temporal control over mitochondrial function in cell and model-organism studies. Specific molecular targets and modes of action for MitoBloCK-10 should be confirmed from primary literature associated with CAS 394694-98-5.

Practical deployment (general):

• Prepare concentrated DMSO stocks (e.g., 5–20 mM), then dilute into pre-warmed media or assay buffer to achieve the desired final concentration, keeping vehicle ≤0.5% v/v unless validated otherwise.
• Include a vehicle control and, when available, a mechanistic control (e.g., an inactive analog or an orthogonal mitochondrial pathway modulator) to aid interpretation.
• Time-course and dose-response studies are recommended to characterize onset and reversibility of phenotypes.

Note: No manufacturer-verified application details are provided in the product data; consult peer-reviewed literature for assay design relevant to MitoBloCK-10.

Reaction Conditions

Not applicable in the classical synthetic sense. MitoBloCK-10 is not supplied for use as a reagent or catalyst in organic synthesis.

Assay deployment conditions (general, literature-based practice for small-molecule probes):

• Stock solutions: prepare in anhydrous DMSO (e.g., 5–20 mM). Store aliquots at −20 °C and thaw immediately before use.
• Working concentrations: determine empirically via dose–response; literature for related MitoBloCK probes often explores low micromolar ranges. Exact values for MitoBloCK-10 should be obtained from primary publications.
• Temperature/time: dose cells under standard culture conditions (e.g., 37 °C, 5% CO2) and monitor effects over minutes to hours depending on the endpoint. For isolated mitochondria or import assays, follow the established protocol timings.
• Controls: include vehicle controls and orthogonal pathway modulators where available.

All above are general guidelines and not item-specific specifications. Consult the SDS and literature before designing experiments.

Safety & Handling

Authoritative safety information is provided on the SDS. The following are general laboratory precautions for small-molecule research compounds.

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
• Likely hazards (general for bioactive organics): may cause skin/eye irritation; harmful if swallowed or inhaled. Handle as a potentially hazardous compound.
• PPE: laboratory coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Work in a certified fume hood when weighing, dissolving, or diluting.
• Handling: avoid dust/aerosol generation. Use closed containers and dedicated, labeled DMSO stock aliquots for cell work. Decontaminate benches and tools after use.
• Incompatibilities (general): strong oxidizers/reducers; strong acids/bases may cause degradation depending on functional groups (verify with SDS/CoA). Avoid exposure to light and moisture until more stability data are obtained.
• First aid (overview; defer to SDS):
  • Inhalation: move to fresh air; seek medical attention if symptoms persist.
  • Skin contact: wash with soap and water; remove contaminated clothing.
  • Eye contact: rinse cautiously with water for several minutes; seek medical attention if irritation persists.
  • Ingestion: rinse mouth; seek medical attention.
• Waste: collect solutions and contaminated disposables as organic hazardous waste per institutional and local regulations.

Solvent Selection

Given the use of MitoBloCK-10 as a bioactive small molecule, solvent choice primarily concerns stock preparation and delivery to biochemical or cell-based assays.

General guidance (literature/common practice):

• Primary stock: anhydrous DMSO is typically preferred due to broad solvency for hydrophobic inhibitors and compatibility with cell culture at low final percentages (≤0.1–0.5% v/v).
• Secondary options: ethanol or DMF can be used when compatible with the biology and plasticware. Cosolvent systems (e.g., DMSO:H2O or DMSO:PEG400) may improve handling for higher concentrations.
• Aqueous vehicles: direct dissolution in aqueous buffers is often limited for hydrophobic scaffolds; consider cyclodextrin carriers or minimal DMSO spike-in with vigorous mixing.

Comparison (general, not item-specific):

• DMSO: high solvency; low volatility; widely accepted in cell assays. Potential to affect membrane properties at >0.5%.
• Ethanol: miscible with water; higher volatility; may impact cells at >0.5–1%.
• DMF: strong solvent; use with caution due to cytotoxicity and material compatibility.

Practical tips:

• Filter sterilization: if required, confirm compound stability with the membrane material (PTFE or PVDF typically preferable for organic-laden solutions).
• Adsorption losses: pre-wet tips/vials with solvent when dispensing micromolar aliquots to minimize loss on plastic surfaces.

Storage & Reconstitution

• Storage conditions (from Product Data): Store at −20 °C.
• Shipping (from Product Data): Shipped in ice chest with ice pads to maintain a cold chain.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution (general guidance, not item-specific):

• Solvent: anhydrous DMSO is commonly used for hydrophobic bioactive probes. Begin with a small test aliquot to confirm solubility.
• Concentration: prepare a convenient stock (e.g., 5–20 mM) based on expected working range; filter only if compatible with the compound and solvent.
• Aliquoting: dispense into amber, low-adsorption vials or tubes to minimize light exposure and adsorption losses; avoid repeated freeze–thaw cycles by using single-use aliquots.
• Stability: protect from light and moisture. Track cumulative time at room temperature during handling; return promptly to −20 °C.

If the compound is received lyophilized or as a solid, equilibrate to room temperature in a desiccator before opening to prevent condensation. For any lot-specific guidance (e.g., hygroscopicity, photosensitivity), refer to the CoA/SDS.

Structure & Identity

• Product: MitoBloCK-10 (SKU: M649685)
• CAS: 394694-98-5 (literature identifier for this small molecule tool compound)
• PubChem CID: 6895129 (literature)
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Product Data lists a placeholder not suitable for identification.)
• 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 context):

• MitoBloCK-10 is reported in the literature as a small-molecule tool targeting mitochondrial protein import pathways. The exact functional groups and ring systems should be verified against the supplier CoA/SDS or primary literature associated with CAS 394694-98-5.
• Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

2D structure description (general guidance):

• A 2D depiction is not provided in the current product data. Consult PubChem CID 6895129 or the product CoA for an authoritative structural diagram suitable for record-keeping and ELN registration.

Synthetic Utility

Not typically applicable. MitoBloCK-10 is a finished bioactive tool compound rather than a building block or reagent.

For users interested in derivatization (general medicinal chemistry considerations):

• Without item-specific structural data in the product listing, no concrete functional group reactivity can be asserted here. If structure is confirmed from primary sources (e.g., PubChem CID 6895129), common modifications might include installing reporter handles (e.g., alkyne/azide for click chemistry) or photoaffinity tags for target ID, subject to preservation of activity.
• Any synthetic manipulation should be performed on dedicated research batches; do not assume the supplied material’s impurity profile or salt form will remain unchanged after derivatization.

Conclusion: treat this item as a bioassay probe; consult the literature for structure–activity relationships before attempting chemical modifications.

Target Specificity

Item-specific target data are not provided in the product data.

• Molecular target(s), binding affinity, selectivity, and off-target profile: Not specified for this item; refer to primary literature for MitoBloCK-10 (CAS 394694-98-5; PubChem CID 6895129) and to the lot-specific CoA if available.

Recommendation:

• Verify target engagement using biochemical assays (e.g., mitochondrial import reporters) and complementary genetic perturbations to confirm on-target activity in your system of interest.