IWR-1 - ≥98% , CAS No.1127442-82-3

CAS: 1127442-82-3 Cat. No.: I129780 Formula: C₂₅H₁₉N₃O₃ Peso molecolare: 409.44

GRADE & PURITY ≥98%

Synonyms

IWR1 | 4-(1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-N-8-quinolinyl-Benzamide | rel-4-[(3aR,4S,7R,7aS)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

IWR1 | 4-(1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-N-8-quinolinyl-Benzamide | rel-4-[(3aR,4S,7R,7aS)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Inhibitor of Wnt signaling. Induces an increase in axin2 protein levels; promotesβ-catenin phosphorylation by stabilizing Axin-scaffolded destruction complexes. Promotes endothelial cell specification of cardiac progenitor cellsNegative Controlalso availa

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504770354

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770354

Sorrisi canonici

C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6

IUPAC Name

4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide

InChIKey

ZGSXEXBYLJIOGF-ALFLXDJESA-N

INCHI

1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+

Isomeri SMILES

C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6

Peso molecolare

409.44

Reaxy-Rn

30206857

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30206857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Phenylpyrrolidines Quinolines and derivatives Isoindolones Benzamides Benzoyl derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyridines and derivatives Pyrroles Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Isoindolone - Quinoline - Benzamide - Isoindoline - Isoindole or derivatives - Benzoyl - Carboxylic acid imide, n-substituted - Pyridine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Pyrrole - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• External Descriptors: dicarboximide - bridged compound

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

Obiettivi associati (umani)

TNKS Tchem Tankyrase-1 (3 Activities)

Discover Target: TNKS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TNKS2 Tchem Tankyrase-2 (6 Activities)

Discover Target: TNKS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DLD-1 (17511 Activities)

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HT-29 (80576 Activities)

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LoVo (4724 Activities)

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MG-63 (795 Activities)

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A549 (127892 Activities)

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H9 (1832 Activities)

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HepG2 (196354 Activities)

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PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1185 Activities)

Discover Target: PARP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP3 Tclin Poly [ADP-ribose] polymerase 3 (206 Activities)

Discover Target: PARP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TNKS Tchem Tankyrase-1 (1241 Activities)

Discover Target: TNKS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

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TNKS2 Tchem Tankyrase-2 (1531 Activities)

Discover Target: TNKS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AXIN1 Tbio Axin-1 (7 Activities)

Discover Target: AXIN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP10 Tchem Poly [ADP-ribose] polymerase 10 (418 Activities)

Discover Target: PARP10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TNKS2 Tchem Tankyrase 1/2 (384 Activities)

Discover Target: TNKS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK-293T (167025 Activities)

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DVL2 Tbio Axin-1/DVL-2 (1 Activities)

Discover Target: DVL2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1E Tclin Axin-1/Casein kinase I epsilon (1 Activities)

Discover Target: CSNK1E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Axin-1/Glycogen synthase kinase-3 beta (1 Activities)

Discover Target: GSK3B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AXIN1 Tbio Axin-1/Low-density lipoprotein receptor-related protein 2 (1 Activities)

Discover Target: AXIN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CTNNB1 Tchem Axin-2/Catenin beta-1 (1 Activities)

Discover Target: CTNNB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

L929 (3802 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Danio rerio (3092 Activities)

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Blood (6 Activities)

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Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Axin2 Axin-2 (1 Activities)

Discover Target: Axin2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zwnt[a] Protein Wnt (3 Activities)

Discover Target: Zwnt[a]

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 40.94, Max Conc. mM: 100
• Peso molecolare: 409.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 409.143 Da
• Monoisotopic Mass: 409.143 Da
• Topological Polar Surface Area: 79.400 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 772.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Application Protocols

Item-specific, validated application protocols are not provided for this catalog entry. The following general, literature-based guidance is offered for typical cell-based use of Wnt pathway inhibitors like IWR-1. Adjust to your system and consult primary sources.

• Preparation of stock:

  • Dissolve IWR-1 in anhydrous DMSO to 10–50 mM. Aliquot into amber microtubes; store desiccated. Avoid repeated freeze–thaw.

• Cell-based reporter assay (general outline):

  1. Seed cells with TCF/LEF-luciferase reporter in 96-well plates to 60–80% confluence next day.
  2. Prepare serial dilutions (e.g., 0.03–10 µM final) in culture medium with ≤0.5% DMSO.
  3. Treat for 16–24 h. Include vehicle control and a structurally unrelated Wnt inhibitor as orthogonal control.
  4. Measure luciferase activity; normalize to viability (e.g., resazurin or ATP assay).

• Western blot readouts (general):

  • After dosing (4–24 h), harvest lysates; probe for β-catenin and Axin. Expect decreased β-catenin transcriptional activity and elevated Axin levels with effective dosing (literature expectation).

• Biochemical assays:

  • For tankyrase activity assays, use purified enzyme systems and PARylation readouts; optimize compound and NAD+ concentrations.

These are general guidelines; verify conditions for your cell line and endpoint.

Biological Roles

Research-use, literature-based summary (no clinical claims):

• Pathway focus: IWR-1 is widely used as a chemical probe of canonical Wnt/β-catenin signaling. It is reported to reduce β-catenin–dependent transcription by stabilizing Axin within the destruction complex, which enhances β-catenin phosphorylation and proteasomal turnover (literature).
• Putative target class: Tankyrase poly(ADP-ribose) polymerases (PARP5A/5B; “TNKS1/2”) have been reported as molecular targets of IWR-1-class inhibitors, leading to decreased PARsylation and increased Axin stability (literature). Selectivity vs. other PARP family members should be verified from primary sources for the specific analog and lot in use.
• Use cases (research):
  • Cell-based reporter assays (e.g., TOPFlash/TCF-Luc) to benchmark Wnt pathway inhibition.
  • Phenotypic studies in stem cell biology and differentiation where Wnt tone is critical.
  • Mechanism and target validation experiments in chemical biology and early discovery.
• Typical working ranges (literature): Submicromolar to low micromolar concentrations in cells; exact potency depends on cell line, assay design, and serum.

Important notes:

• Off-targets and cytotoxicity can occur at higher concentrations; include orthogonal controls (e.g., structurally unrelated Wnt inhibitors) and vehicle controls.
• Confirm the identity and purity of the specific lot used to correlate phenotypes with mechanism.

Buffer Applications

IWR-1 is not a buffering agent and is not used to prepare pH buffer systems. Accordingly, there are no standard buffer recipes or buffering ranges associated with this product.

Practical note (general):

• When dosing into buffered media (e.g., PBS, HBSS, culture medium), prepare a concentrated DMSO stock and dilute into the buffer to the desired final concentration, maintaining low DMSO content (typically ≤0.1–0.5% v/v). Verify that no precipitation occurs upon dilution.

Green Alternatives

As IWR-1 is a bioactive screening compound rather than a process solvent or commonly used reagent, the concept of “green alternative solvents/reagents” is generally not applicable.

Context and practical notes (general):

• Dissolution media: If DMSO use is a concern, consider minimizing its final concentration in assays (≤0.1% v/v) or evaluate ethanol as an alternate vehicle where soluble and compatible. However, assay performance and compound solubility must take precedence; validate substitutes experimentally.
• Waste minimization: Prepare small, concentrated stock solutions; aliquot to reduce freeze–thaw cycles and discard minimal volumes. Consolidate DMSO-containing waste streams for proper disposal per institutional EHS guidance.
• Safer handling: Use closed, low-loss dispensing (positive-displacement pipettes) to reduce exposure and waste.

Bottom line: Greener choices are better framed around solvent management and assay design (miniaturization, low final DMSO) rather than substituting the compound itself, which serves as a specific biochemical probe.

Pharmaceutical Uses

This product is offered strictly for research use only. It is not an API, excipient, or GMP material, and is not intended for human or veterinary use.

Research and development context (literature, no clinical claims):

• IWR-1 is used as a reference tool compound in early discovery to interrogate Wnt/β-catenin pathway biology. It may serve as a comparator in SAR studies and in vitro ADME/tox screens during hit-to-lead research.
• Formulation screening: For in vitro assays, DMSO stock solutions are typical. For any pre-formulation studies in nonclinical research, assess compound stability versus pH, light, and antioxidants empirically; these are not provided for this catalog item.

Regulatory status:

• Pharmacopeial monograph: None known for IWR-1 (literature/general). This item is not certified to pharmacopeial standards.

Documentation:

• For any GLP-adjacent work, obtain the CoA and SDS for the specific lot, and qualify the material internally before use.

Physical Properties

The catalog entry does not provide item-specific physicochemical specifications for IWR-1.

• Appearance (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (item-specific): Not applicable for a high-melting, multi-ring small molecule; typically decomposes before boiling under ambient pressure (general statement).
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility (general, literature): Tool compounds of this class are typically supplied for dissolution in anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM), then diluted into aqueous assay media with final DMSO ≤0.1–0.5% v/v. Exact solubility of this item should be verified experimentally or from CoA.
• LogP/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

Practical notes (general):

• For cell assays, prepare fresh DMSO stock and avoid repeated freeze–thaw of working aliquots to minimize degradation (literature best practice).
• Filter-sterilize working solutions (0.22 µm) when sterility is required. Confirm compound compatibility with filters and plastics prior to use.

Quality and Grades

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

Interpretation and guidance (general):

• For bioactive screening compounds like IWR-1, suppliers may offer research-grade material with purity typically determined by HPLC/UPLC and identity confirmed by NMR/MS (literature norms). In absence of an explicit grade, assume research-use only and verify suitability for your assays via the provided CoA.
• UV/fluorescence background: If the compound is used in readouts sensitive to optical interference (e.g., reporter assays), review the CoA chromatogram and any UV spectra to anticipate background absorbance or autofluorescence.
• Residual solvents and water: Not specified for this item; refer to CoA/Spec Sheet. For sensitive applications, consider gentle in vacuo drying or lyophilization if compatible (confirm stability first).
• Lot-to-lot consistency: For screening campaigns, reserve sufficient quantity of a single lot to avoid variability; archive a small amount as reference standard.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If no stabilizer is listed, protect from moisture and light during storage and handling.

Documentation: Request the Certificate of Analysis for batch-specific assay purity, identity, and any residual volatile profile relevant to your experimental needs.

Reaction and Applications

This product is supplied as a bioactive small molecule for research use, not as a synthetic reagent. Consequently, conventional organic reaction applications (e.g., couplings, reductions, Grignard reactions) are not typically relevant.

• Applicability to chemical synthesis: Not typically used as a reagent, catalyst, or solvent in preparative chemistry. If incorporated into medicinal chemistry workflows, it serves as a reference standard or control compound rather than a building block.

• Research application context (literature):

  • IWR-1 is widely employed as a tool compound to suppress canonical Wnt/β-catenin signaling in cells, often by inhibiting tankyrase activity and stabilizing Axin, thereby promoting β-catenin degradation. It is used to probe pathway dependence, validate targets, and benchmark novel inhibitors in biochemical and cell-based assays.

If your goal is organic transformation development, consider browsing Aladdin’s reagent categories (acids, bases, catalysts, coupling reagents, solvents) for appropriate chemicals. For bioassays and mechanism studies, see the “Biological Roles,” “Target Specificity,” and “Application Protocols” sections in this page.

Reaction Conditions

Not applicable. IWR-1 is not sold for use as a reagent in chemical transformations, so standard reaction condition guidance (solvent, catalysts, temperature, stoichiometry) does not apply.

Assay preparation conditions (general, literature):

• Stock preparation: Dissolve IWR-1 in anhydrous DMSO to 10–50 mM. Vortex and, if needed, briefly sonicate. Filter if particulate persists.
• Working solutions: Dilute into pre-warmed culture medium or assay buffer to final DMSO ≤0.1–0.5% v/v, mixing thoroughly to avoid local supersaturation.
• Concentration ranges: Pilot dose–response from ~0.03 to 10 µM in cells; refine based on observed potency and cytotoxicity (literature guidance).
• Incubation: 4–48 h in cell assays depending on endpoint (reporter activity, Western blot for Axin/β-catenin levels, etc.). Optimize per cell line.

All values above are general literature guidance for Wnt-pathway tool compounds and should be validated empirically for your system.

Safety and Handling

Item-specific GHS classification and hazard statements are not provided in the Product Data for IWR-1.

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

General laboratory safety guidance (not a substitute for SDS):

• PPE: Use lab coat, appropriate chemical-resistant gloves (e.g., nitrile), and safety glasses. Handle powders in a fume hood or ventilated enclosure to minimize inhalation/dermal exposure.
• Handling: Avoid dust generation and aerosolization. Prevent contact with skin and eyes. Do not ingest or inhale. Use clean, dry tools for weighing.
• Incompatibilities (general): Avoid strong oxidizers and strong acids/bases until compatibility is confirmed from the SDS. Keep away from ignition sources when using organic solvents (e.g., DMSO, DMF) for dissolution.
• First aid (general): If inhaled—move to fresh air; seek medical attention if symptoms persist. Skin/eye contact—rinse with water for ≥15 minutes; remove contaminated clothing. If ingested—rinse mouth; seek medical attention. Always follow site SOPs.
• Spill/accidental release: Avoid dust; collect with inert absorbent. Dispose of waste per institutional and regulatory guidance.
• Stability notes (general): Protect solutions from light and prolonged exposure to elevated temperature. Use amber vials where possible.

Always consult the product-specific SDS for authoritative hazard, toxicological, and disposal information.

Solvent Selection

IWR-1 is used primarily as a bioactive tool compound rather than a processing solvent. This section summarizes dissolution media selection for assay stock solutions.

• Primary stock solvent (literature/good practice):
  • Anhydrous DMSO is typically preferred due to strong solvating power for heteroaromatic tool compounds.
• Secondary solvents (verify compatibility):
  • DMF, NMP, or ethanol may dissolve certain lots but can increase cytotoxic background; use only if validated for your assay (literature cautions).
• Aqueous media:
  • Following preparation in DMSO, dilute into culture media or buffer with final DMSO ≤0.1–0.5% v/v to limit solvent effects on cells/enzymes (literature).
• Solubility verification:
  • Visually inspect for precipitation after dilution; where possible, confirm by LC or light scattering.
• Adsorptive losses:
  • Some hydrophobic compounds adsorb to polystyrene; prefer low-binding polypropylene plates/tubes for accurate dosing (general recommendation).

Comparison (general):

• DMSO vs ethanol: DMSO affords higher solubility and lower volatility; ethanol can be acceptable for short exposures but may perturb membranes at comparable v/v.
• DMF/NMP: High solvating power but greater cytotoxicity; restrict to biochemical assays or very low final percentages after risk assessment.

Storage and Reconstitution

• Storage conditions (item-specific): Room temperature (per Product Data). Protect from moisture and light. For long-term stability, many users store aliquots at 2–8°C or −20°C once dissolved; validate for your application (general guidance).
• Shipped in (item-specific): Normal.
• Research use: For research use only.

Reconstitution and handling (general best practices):

• Solid handling: Equilibrate vial to ambient conditions before opening to prevent moisture condensation. Reseal promptly.
• Stock solution preparation: Dissolve in anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM). If sterility is required, sterile-filter through 0.22 µm PTFE or PES.
• Aliquoting: Dispense small, single-use aliquots in amber tubes to minimize freeze–thaw and light exposure.
• Working solutions: Dilute into pre-warmed assay buffer or culture medium with thorough mixing. Keep final DMSO low (≤0.1–0.5% v/v) to reduce vehicle effects.
• Stability notes: Item-specific stability, peroxide formation, or degradant profiles are Not specified for this item; refer to CoA/Spec Sheet. Empirically monitor by LC/MS for extended studies.

Disposal: Collect solvent-containing waste according to institutional and regulatory requirements.

Structure and Identity

IWR-1 (SKU I129780) is a small-molecule research tool compound widely used to modulate Wnt/β-catenin signaling in cell-based studies (literature). Item-specific structure fields below reflect the catalog record for this product.

• Item-specific identifiers from Product Data:

  • CAS: 1127442-82-3
  • PubChem CID: 44483163 (literature cross-reference; confirm before citation)
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Product Data lists "456578," which is not a standard InChIKey format; consult CoA.)
  • 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):

  • IWR-1 is reported as a heteroaromatic, polycyclic small molecule used as a Wnt pathway inhibitor, commonly associated with inhibition of tankyrase (PARP5) isoforms and stabilization of Axin in the β-catenin destruction complex (literature). Exact functional group inventory and stereochemical descriptors should be confirmed from a primary structure record (CoA/SDS or authoritative databases) for this specific lot.

• 2D structural description (general):

  • Planar/near-planar fused aromatic substructures connected to heteroatom-containing rings are typical in reported structures of IWR-class inhibitors (literature). For exact ring count, substitution pattern, and connectivity, defer to the CoA/Spec Sheet for this catalog item.

Synthetic Utility

IWR-1 is supplied as a finished bioactive small molecule and is not commonly used as a synthetic intermediate or reagent.

• Role in synthesis: Limited. Medicinal chemistry groups may prepare IWR-1 analogs for SAR, using IWR-1 itself as a reference standard in analytical comparisons rather than as a building block.
• Functional group reactivity: Without an item-specific structural disclosure in this catalog entry, no reliable guidance can be given on chemoselective transformations of this molecule. Refer to primary literature for the specific scaffold.

If your goal is to perform organic synthesis around Wnt pathway modulators, consult the literature for robust routes to IWR-class inhibitors and obtain starting materials and coupling reagents from Aladdin’s catalog. For characterization of purchased IWR-1, use orthogonal analytics (LC/MS, 1H/13C NMR, HRMS) to confirm identity and purity.

Target Specificity

Item-specific target validation data are not provided in the Product Data. The following is a literature-based summary for research context only.

• Primary targets (literature): Tankyrase enzymes TNKS1 and TNKS2 (PARP5A/5B) are frequently reported as molecular targets of IWR-1-class inhibitors. Inhibition reduces PARsylation of Axin, stabilizing the β-catenin destruction complex.
• Pathway outcome (literature): Decreased β-catenin–dependent transcriptional activity in canonical Wnt signaling assays (e.g., TCF/LEF reporters), with concomitant changes in Axin levels.
• Selectivity considerations (literature): Selectivity versus other PARP family members and unrelated off-targets is compound- and context-dependent. Researchers should consult primary biochemical profiling data for the exact analog and confirm with orthogonal assays.

Note: No antibody epitope, clone, isotype, or species-reactivity data apply to this small-molecule product.

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.