E7046 (ER-886406) - ≥99% , CAS No.1369489-71-3

CAS: 1369489-71-3 Cat. No.: E413568 Summenformel: C₂₂H₁₈F₅N₃O₄ Molekulargewicht: 483.39

GRADE & PURITY ≥99%

Synonyms

PALUPIPRANT | s6649 | HY-103088 | BDBM119448 | Hordenine, >=97.0% (HPLC) | 4-[(1S)-1-[[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]carbonyl]amino]ethyl]-benzoic acid | YWY620GU8I | Benzoic acid, 4-((1S)-1-(((3-(difluorometh

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

E7046 (ER-886406) E7046 (ER-886406) is a selective inhibitor of the prostaglandin E 2 (PGE 2 ) receptor EP4 with IC50 of 13.5 nM and Ki of 23.14 nM.

Targets

EP4 (Cell-free assay); EP4 (Cell-free assay) 13.5nM; 23.14 nM(Ki)

In vitro

E7046 has specific and potent inhibitory activity on PGE₂-mediated pro-tumor myeloid cell differentiation and activation.

In vivo

E7046 treatment reduces the growth or even rejected established tumors in vivo in a manner dependent on both myeloid and CD8⁺ T cells.

Cell Research(from reference)

Cell lines：Monocytes 

Concentrations：10,100,300,1000,or 3000 nM 

Incubation Time：7d 

Specifications

Synonyme

PALUPIPRANT | s6649 | HY-103088 | BDBM119448 | Hordenine, >=97.0% (HPLC) | 4-[(1S)-1-[[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]carbonyl]amino]ethyl]-benzoic acid | YWY620GU8I | Benzoic acid, 4-((1S)-1-(((3-(difluorometh

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

E7046 (ER-886406) is a selective inhibitor of the prostaglandin E₂ (PGE₂) receptor EP4 with IC50 of 13.5 nM and Ki of 23.14 nM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504771496

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771496

Kanonisches Lächeln

CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F

IUPAC Name

4-[(1S)-1-[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbonyl]amino]ethyl]benzoic acid

InChIKey

MKLKAQMPKHNQPR-NSHDSACASA-N

INCHI

1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1

Isomere SMILES

C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F

Molekulargewicht

483.39

Reaxy-Rn

54734638

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54734638&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Trifluoromethylbenzenes Benzoic acids Pyrazole-4-carboxamides Phenoxy compounds Phenol ethers Benzoyl derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Alkyl fluorides Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Pyrazole-4-carboxamide - Benzoyl - Phenol ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

Zugehörige Ziele (menschlich)

PTGER4 Tclin Prostaglandin E2 receptor EP4 subtype (2 Activities)

Discover Target: PTGER4

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

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

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

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

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

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

Discover Target: AGTR1

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

PTGER2 Tclin Prostanoid EP2 receptor (1730 Activities)

Discover Target: PTGER2

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

PTGER1 Tclin Prostanoid EP1 receptor (1696 Activities)

Discover Target: PTGER1

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

PTGER4 Tclin Prostanoid EP4 receptor (2181 Activities)

Discover Target: PTGER4

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

PTGER3 Tclin Prostanoid EP3 receptor (1985 Activities)

Discover Target: PTGER3

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

Discover Target: S1PR1

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

Discover Target: C5AR1

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)

Discover Target: CYP2E1

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

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

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

U2OS (164939 Activities)

Explore this target

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

HEK293 (82097 Activities)

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

CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

Discover Target: CX3CR1

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

FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

Discover Target: FPR2

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

FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

Discover Target: FFAR4

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

Discover Target: GPR35

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

HEK-293T (167025 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

Aplnr Apelin receptor (201 Activities)

Discover Target: Aplnr

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

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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

EMT6 (738 Activities)

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

3LL cell line (138 Activities)

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

CT26 (928 Activities)

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

Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

Discover Target: Gpr119

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

Panc02 (118 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 100 mg/mL (206.87 mM)
• Molekulargewicht: 483.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 483.122 Da
• Monoisotopic Mass: 483.122 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 717.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

No vendor-validated application protocols are provided for this item.

General guidance for small-molecule screening (not item-specific):

• Stock preparation: Dissolve in dry DMSO to a defined concentration (e.g., 10–50 mM). Vortex and, if needed, brief sonication to aid dissolution.
• Plating: Use low-retention tips/plates. Backfill with assay buffer to the desired final DMSO percentage (commonly ≤0.1–1% v/v).
• Controls: Include vehicle controls matched to final DMSO content and appropriate positive/negative controls relevant to your assay biology.
• Stability checks: Periodically re-test by LC–MS or HPLC after multiple freeze–thaw cycles or prolonged storage.

For detailed, assay-specific protocols (biochemical vs. cellular), follow your laboratory SOPs. This product is supplied for research use only.

Biological Roles

Item-specific biological target, pathway, or mechanism of action are not provided in the Product Data.

General considerations for small-molecule library compounds (not item-specific, literature/practice):

• Such compounds are used as chemical tools in discovery research to probe pathways, modulate protein function, or serve as starting points for SAR campaigns after initial screening hits.
• Typical applications include high-throughput screening (HTS), high-content imaging assays, biochemical enzyme assays, target deconvolution studies, and chemoproteomic enrichment if suitably functionalized.
• Stock solution management (accurate concentration, stability tracking, and plate mapping) is crucial for reproducible biological readouts.

Important: No medical or clinical claims are made for this item. For any biological conclusions, verify identity, purity, and integrity via your own QC and consult the lot-specific documentation.

Buffer Applications

This item is a small-molecule library compound and is not a buffering agent. Buffer formulation guidance is therefore not directly applicable.

Practical notes for assay buffers (general):

• When diluting DMSO stocks into aqueous buffers (e.g., PBS, HEPES, Tris), keep final DMSO at levels compatible with your biology (commonly ≤0.1–1% v/v).
• To mitigate precipitation upon dilution, add compound stock slowly with mixing and consider using a small amount of non-ionic surfactant (e.g., 0.01% Tween-20) if compatible, or include a co-solvent fraction.
• Maintain consistent pH and ionic strength to minimize compound aggregation artifacts.

For buffer recipes and pH ranges, use standard buffer references; this product itself does not serve as a buffer component.

Green Alternatives

This listing represents a specific small-molecule library member rather than a process reagent or solvent. As such, selection of a “green alternative” compound is not typically applicable.

• If your objective is to optimize environmental footprint in screening workflows, consider process-level adjustments:

  • Use minimal DMSO volumes and adopt plate formats that reduce solvent waste.
  • Implement solvent recovery for washing steps and prefer water-based buffers when feasible.
  • Consolidate assay runs to minimize cold-chain shipments and dry ice usage.

• If you are seeking a mechanistically similar tool compound with improved EHS characteristics, consult medicinal chemistry literature for alternative chemotypes; however, target or MoA details are not provided here and must be defined by your project needs.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is provided in the Product Data.

• This product is supplied strictly for research use only. It is not approved for use as a drug substance, excipient, or in manufacturing of products intended for human or veterinary use.
• If used as a research tool in pre-formulation or ADME studies, ensure in-house qualification and compliance with institutional policies. Any extrapolation to development contexts requires independent verification and is outside the scope of this listing.

Physical Properties

Item-specific physicochemical constants are not supplied in the Product Data. Do not treat the following placeholders as specifications.

• 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/rarely used for library solids; Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP / cLogP: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable (typically a solid); Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice, not item-specific):

• Small-molecule screening compounds are commonly supplied as crystalline solids or powders with good solubility in DMSO and varying solubility in aqueous buffers depending on ionization state.
• When first handling a new library compound whose solubility is unknown, assess solubility by preparing a concentrated DMSO stock (e.g., 10–50 mM) and diluting into assay buffer with attention to final DMSO percentage.
• Verify actual properties from the item’s CoA for experimental planning.

Quality and Grades

The Product Data do not list a specific grade or purity for this item.

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Research Use: For research use only (as provided); not for human or veterinary use.

Context for professional users:

• Small-molecule library compounds are typically supplied with HPLC/LC–MS identity confirmation and a purity threshold (commonly ≥95% by HPLC), but the exact acceptance criteria may vary by lot and supplier. Always consult the lot-specific CoA for: assay purity method and result, identity confirmation (MS/HRMS, NMR), and residual solvent levels.
• If your application is analytical (e.g., as a reference), request or verify orthogonal characterization (NMR, HRMS). If your application is biological screening, ensure that trace impurities and residual solvents are compatible with the assay.
• Stabilizers/additives: Not specified for this item; refer to CoA/Spec Sheet.

Recommendation:

• Incorporate incoming QC (e.g., quick LC–MS check) when screening hits have program-critical impact.

Reaction and Applications

This product is sold as a discrete, ready-to-use small molecule for screening and research. It is not typically employed as a synthetic reagent or solvent.

• Synthetic reaction applications (e.g., as a catalyst, reagent, or monomer) are not applicable based on the Product Data available.
• Primary use case: inclusion in small-molecule libraries for biochemical, cellular, or phenotypic screening, target validation, or SAR follow-up once activity is observed.

Practical notes for research workflows:

• Prepare accurately quantified stock solutions (gravimetric or volumetric) and record lot number for reproducibility.
• Filter sterilization is generally unnecessary unless required by your assay format; if done, confirm no adsorption losses to filter materials.
• Track compound stability under assay and storage conditions (freeze–thaw, light exposure), and re-verify by LC–MS after extended storage.

For any intended chemical transformations on this scaffold (e.g., derivatization for probe development), obtain the full structural information (SMILES/NMR) from the CoA or trusted databases to plan reaction feasibility.

Reaction Conditions

Not applicable. This product is not provided as a general reagent or catalyst, and no synthetic transformations are prescribed in the Product Data.

General laboratory handling conditions for solution preparation (not item-specific):

• Prepare stock solutions under dry, clean conditions. If the compound is moisture sensitive (unknown here), handle swiftly and consider inert atmosphere.
• For DMSO stocks, typical concentrations range 10–50 mM; verify solubility and stability by visual inspection and LC–MS as needed.
• Store working aliquots at recommended temperatures and minimize freeze–thaw cycles to preserve integrity.

Safety and Handling

Safety information specific to this item is not provided in the Product Data; consult the SDS for authoritative guidance.

• GHS Classification / Signal Word / H-Statements / Pictograms: Not specified for this item; refer to SDS.
• General laboratory precautions:
  • Handle in a fume hood, wear appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile).
  • Avoid inhalation of dust or aerosols; prevent skin/eye contact.
• Handling notes for screening compounds:
  • If preparing DMSO stocks, avoid moisture ingress; keep vials tightly closed to minimize hygroscopic uptake and concentration drift.
  • Use amber vials if the compound is light sensitive (check CoA/SDS); default to protecting from light until confirmed.
• Incompatibilities: Unknown for this item; as a precaution, avoid strong oxidizers/reducers and extreme pH until compatibility is verified.
• First aid (overview): In case of contact, rinse with plenty of water; if inhaled, move to fresh air; if ingested or upon exposure symptoms, seek medical attention. Defer to SDS for specifics.
• Waste disposal: Collect as organic chemical waste in accordance with institutional and local regulations.

Solvent Selection

No item-specific solubility data are provided. The guidance below reflects common practices for small-molecule library compounds.

• Primary solvent for stocks: Anhydrous DMSO is typically preferred for preparing concentrated stocks (e.g., 10–50 mM), due to broad solvency and biological assay compatibility at low percentages.
• Secondary solvents (if needed): DMF or ethanol can be used when DMSO is unsuitable; verify assay compatibility. Cosolvent systems (DMSO + aqueous buffer, or ethanol + buffer) may aid dissolution upon dilution.
• Aqueous media: Solubility depends on ionizable groups; if unknown, assume limited aqueous solubility and pre-dissolve in an organic solvent before buffer dilution.
• pH adjustment: For ionizable compounds, modest pH adjustment of buffer can enhance solubility, but confirm compound stability versus pH prior to use.

Quick comparison (general, not item-specific):

• DMSO: highest solvency; broadly assay-compatible up to 0.1–1% v/v.
• DMF: strong solvent; more hygroscopic and less favored biologically.
• Ethanol: good for some hydrophobic compounds; higher assay percentages may be required versus DMSO.

Always verify solubility and stability empirically for this specific item using the lot CoA.

Storage and Reconstitution

• Storage Conditions (as provided): Store at −20°C.
• Shipping Condition: Ice chest + ice pads (cold-chain).

Reconstitution (general guidance for small molecules; not item-specific):

• Allow vial to equilibrate to room temperature in a desiccated environment before opening to avoid condensation.
• Prepare concentrated stock solutions in anhydrous DMSO (typical: 10–50 mM), unless the CoA specifies an alternative solvent. Record exact solvent and concentration on the vial.
• If aqueous working solutions are required, dilute the DMSO stock into buffer with mixing; maintain a consistent final DMSO percentage across samples.

Aliquoting and stability:

• Prepare single-use aliquots to minimize freeze–thaw cycles. Store aliquots at −20°C (or per CoA). Protect from light if sensitivity is unknown.
• Inspect for precipitation or discoloration before use. If stability is critical, confirm integrity by LC–MS/HPLC at defined intervals.

Specifications:

• Appearance, purity, stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

Structure and Identity

Concise research compound entry for a small-molecule library member.

• Product Name: E7046 (ER-886406)
• SKU: E413568
• CAS: 1369489-71-3
• PubChem CID: 56944705
• InChIKey: 221440 (as provided in Product Data)
• 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 description (general guidance):

• Item-specific structural features are not provided in the Product Data. For exact functional groups, ring systems, and stereochemistry, please refer to the CoA/SDS or authoritative databases using the CAS or CID above.
• As a member of a small-molecule screening collection, this compound is typically a discrete organic molecule suitable for preparation as DMSO stock solutions for biochemical or cell-based assays.

Notes:

• If structural identifiers (SMILES/InChI) are required for cheminformatics, extract directly from the CoA or trusted databases keyed by the provided CAS/CID to avoid transcription errors.

Synthetic Utility

Based on the Product Data, this material is offered as a discrete small-molecule research compound rather than a synthetic building block.

• Without a disclosed structure, no reliable guidance can be given on reactive handles (e.g., halogens, heteroaryl positions, amide linkages) or derivatization strategies.
• If derivatization or probe development is desired, obtain the exact structure (SMILES/NMR) from the CoA or authoritative sources and evaluate feasibility for: late-stage functionalization, biotin/fluorophore tagging, or photoaffinity handle installation.
• For library expansion or SAR, standard medicinal chemistry playbooks apply once the scaffold and substitution vectors are known (e.g., polarity tuning, heteroatom scans, conformational locking).

Target Specificity

Target, pathway, and binding profile are not provided in the Product Data for this item.

• No antigen/epitope, enzyme, receptor, or channel specificity is claimed here.
• For internal records, if your program associates this compound with a specific target, document lot numbers, assay conditions, and reference standards to maintain traceability.

Item-specific note: Only include target claims that are supported by supplier documentation or peer-reviewed sources; otherwise, treat as an unannotated library member.