GNE-317 - ≥98% , CAS No.1394076-92-6

CAS: 1394076-92-6 Cat. No.: G413834 Formula: C₁₉H₂₂N₆O₃S Peso molecolare: 414.48

GRADE & PURITY ≥98%

Synonyms

5-(6-(3-Methoxyoxetan-3-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine | 5-[6-(3-Methoxy-3-oxetanyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyrimidinamine | GNE317 | 5-(6-(3-Methoxyoxetan-3-yl)-4-morpholinothieno[

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

GNE-317 GNE-317 is a potent, brain-penetrant PI3K inhibitor.

Targets

PI3K

In vitro

GNE-317 is not a substrate of P-gp or BCRP transporter in transfected Madin-Darby canine kidney (MDCK) cells. Binding of GNE-317 to plasma proteins exhibits a free fraction of 14.9 % in mouse plasma, and binding to brain tissues is higher, with a free fraction of 5.4%. GNE-317 shows cytostasis but no cell death to U87 cells.

In vivo

GNE-317 (40 mg/kg, p.o.) markedly inhibits the PI3K pathway in mouse brain, causing 40% to 90% suppression of the pAkt and pS6 signals up to 6-hour postdose. GNE-317 (40 mg/kg, p.o.) is efficacious in the U87 and GS2 orthotopic models, achieving tumor growth inhibition of 90% and 50%, respectively. In the GBM10 tumor model, GNE-317 (30 mg/kg, p.o.; 40 mg/kg the first 2 weeks) extends the survival of mice from a median of 55.5 to 75 days.

Specifications

Sinonimi

5-(6-(3-Methoxyoxetan-3-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine | 5-[6-(3-Methoxy-3-oxetanyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyrimidinamine | GNE317 | 5-(6-(3-Methoxyoxetan-3-yl)-4-morpholinothieno[

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

GNE-317 is an orally active potent inhibitor against phosphoinositide 3-kinase (PI3K Ki = 2/α, 27/β, 7/δ, 7/γ) and mTOR (Ki = 9 nM). GNE-317 exhibits antiproliferation potency in glioblastoma cancer cultures (EC50 from 140 to 570 nM in seven cultures) and

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Proprietà del prodotto

• ALogP: 1.5
• hba_count: 7
• Conteggio HBD: 1
• Legame rotabile: 4

Nomi e identificatori

• Pubchem Sid: 488202151
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202151
• Sorrisi canonici: CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC
• IUPAC Name: 5-[6-(3-methoxyoxetan-3-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
• InChIKey: XOZLHJMDLKDZAL-UHFFFAOYSA-N
• INCHI: 1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22)
• Isomeri SMILES: CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC
• Peso molecolare: 414.48
• Reaxy-Rn: 23003622
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23003622&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyrimidines and oligopyrimidines
• Alternative Parents: Thienopyrimidines Dialkylarylamines Aminopyrimidines and derivatives Morpholines Imidolactams Thiophenes Heteroaromatic compounds Oxetanes Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bipyrimidine - Thienopyrimidine - Dialkylarylamine - Aminopyrimidine - Morpholine - Oxazinane - Imidolactam - Heteroaromatic compound - Thiophene - Oxetane - Dialkyl ether - Ether - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bipyrimidines and oligopyrimidines. These are organic compounds containing two or more pyrimidine rings directly linked to each other. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Obiettivi associati (umani)

PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (1 Activities)

Discover Target: PIK3CA

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

MTOR Tclin Serine/threonine-protein kinase mTOR (2 Activities)

Discover Target: MTOR

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

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

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

SF-268 (49410 Activities)

Explore this target

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

SF-539 (44845 Activities)

Explore this target

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

PIK3C2B Tchem Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide (438 Activities)

Discover Target: PIK3C2B

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

Obiettivi associati (non umani)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Mus musculus (284745 Activities)

Explore this target

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

Brain (1 Activities)

Explore this target

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

Plasma (328 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 47 mg/mL warmed with 50ºC Water: bath (113.39 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilità massima: 47
• DMSO (mM) Solubilità massima: 113.3950975
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 414.500 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 414.147 Da
• Monoisotopic Mass: 414.147 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 570.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 tested applications, recommended dilutions, or assay protocols are provided in the Product Data for this item.

General starting-point practices for small-molecule tool compounds (not item-specific specifications):

• Stock solutions: Prepare at an appropriate concentration in DMSO (commonly 10–20 mM), aliquot into light-protected, low-bind tubes, and store at −20°C. Thaw only as needed to minimize freeze–thaw cycles. Verify concentration by UV or qNMR if critical.
• Working solutions: Dilute into assay buffer or culture media immediately before use, keeping final vehicle ≤0.1–1% v/v to maintain assay compatibility. Mix thoroughly to avoid microprecipitates.
• Controls: Include vehicle-only and orthogonal control compounds. For plate-based assays, randomize well positions to mitigate edge effects and include intra-plate standards.
• Interference checks: Screen for fluorescence/absorbance interference and redox or aggregation artifacts where relevant.
• Data integrity: Use concentration–response (8–12 points) with replicates; fit using appropriate models (4-parameter logistic) and report confidence intervals.

Note: The above are generalized best practices. For any specific application, consult the peer-reviewed literature for CAS 1394076-92-6 and adjust protocols to your assay format and detection technology.

Biological Roles

No specific biological target, pathway, or mechanism is provided in the Product Data for GNE-317. Therefore, users should consult primary literature and databases (e.g., PubChem CID: 70676303) for authoritative, item-specific biological information tied to CAS 1394076-92-6 before designing experiments.

General notes for small-molecule tool compounds (not item-specific claims):

• Tool compounds are often employed to modulate enzymatic pathways (e.g., kinases, epigenetic enzymes, GPCRs) to elucidate signaling cascades, feedback regulation, and phenotype-function relationships in cells or in vitro biochemical systems.
• Key considerations include on-target potency (IC50/Ki), selectivity across related protein families, cell permeability, efflux susceptibility, and metabolic stability (microsomes/hepatocytes).
• Off-target profiling (broad kinase panels, receptor binding, or proteome-wide chemoproteomics) is recommended to contextualize observed phenotypes and avoid misattribution.
• Aggregation-based inhibition and redox cycling can create false positives in biochemical readouts; include orthogonal assays and counter-screens.

Assay design guidance:

• Establish a concentration-response with appropriate vehicle controls.
• Validate time-dependence and reversibility of effects.
• Confirm mechanism using orthogonal chemotypes or genetic perturbation (e.g., knockdown/CRISPR) to triangulate target involvement.

Reminder: This product is for research use only and is not intended for diagnostic, therapeutic, or clinical applications. Any biological roles must be defined by the end user based on validated literature for this exact compound.

Buffer Applications

This item is a small-molecule research compound, not a buffering agent. Therefore, conventional buffer system guidance (e.g., phosphate, HEPES, TRIS recipes and pH ranges) does not directly apply.

Practical notes for assay buffers (general, not item-specific):

• Vehicle tolerance: Define allowable DMSO or ethanol percentages in your assay buffer (commonly ≤0.1–1% v/v) to balance solubility and biological compatibility.
• Protein binding and adsorption: Include inert proteins (e.g., 0.1% BSA) or low-detergent levels (e.g., 0.01–0.05% Tween 20/80) to minimize nonspecific adsorption or aggregation if consistent with assay design.
• pH and ionic strength: Maintain physiological pH (7.2–7.5) and isotonicity for cell-based assays; for enzyme assays, optimize pH/ionic strength for catalytic performance and compound stability.
• Light and oxygen: Protect from light and air if the compound is predicted to be photosensitive or air-oxidizable; degas buffers only if stability data indicate benefit.

For precise compatibility (stability in specific buffer systems, precipitation thresholds, or interactions with metals/salts), perform small-scale tests with your target assay buffer and consult the CoA/SDS for any explicit incompatibilities.

Green Alternatives

Green chemistry considerations are typically framed around solvent/reagent selection. As GNE-317 is a research tool compound rather than a process reagent or solvent, “alternatives” mainly concern vehicle and media selection rather than replacing the molecule itself.

Greener handling choices (general guidance; not item-specific):

• Stock solvent selection: Prefer ethanol or water-co-solvent systems over high-toxicity dipolar aprotics where assay compatibility allows. Keep DMSO fractions minimal (≤0.1–0.5% v/v in final assays) to reduce environmental footprint and assay interference.
• Miniaturization: Use microscale assay formats (384/1536-well) to reduce compound and solvent consumption, waste, and energy use.
• Analytical methods: Favor ACN/H2O mobile phases over chlorinated solvents; employ UHPLC to minimize solvent volumes.
• Waste management: Segregate halogenated vs. non-halogenated organic waste; consider solid-phase extraction (SPE) to concentrate analytes and reduce bulk solvent disposal.

Comparison of common vehicles (general):

• Ethanol (EtOH): Renewable routes available; readily biodegradable; good biocompatibility window.
• DMSO: Excellent solvency; higher environmental persistence; use sparingly and recycle when possible.
• PEG 400 or cyclodextrins: Can improve apparent solubility; assess biodegradability and downstream treatment.

Note: No green alternative exists for the active entity itself if its specific bioactivity is required. Focus improvements on solvent selection, energy use (cold-chain optimization), and right-sizing experiments to align with green chemistry principles.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation grade is provided for GNE-317 in the Product Data. This product is supplied strictly for research use only and is not intended for human or veterinary use, nor for drug product manufacturing.

General context (not item-specific claims):

• Discovery-stage small molecules are sometimes formulated into DMSO or ethanol stock solutions for in vitro assays and exploratory in vivo research in academic/industrial settings. Transition to pharmaceutical development would require comprehensive CMC data, GMP manufacture, formal specifications, stability studies (ICH), impurity profiling, and regulatory alignment—none of which are implied by this catalog item.
• Without explicit grade designation (USP/Ph.Eur./JP, GMP), the material should not be used as an API, intermediate for clinical production, or excipient.

If formulation experiments are undertaken for preclinical research:

• Use research-grade vehicles (e.g., aqueous buffers with acceptable co-solvents, cyclodextrin complexes, lipid-based dispersions) and perform compatibility/stability studies at intended storage and use temperatures.
• Document concentration verification (UV/qNMR), sterility (if applicable), and particulates prior to biological administration in research models.

Always consult institutional policies and applicable regulations before considering any use beyond basic research assays.

Physical Properties

Item-specific values from Product Data:

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

Physical/chemical properties (item-specific specifications):

• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable to solids; if liquid/oil, Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general literature practice for screening compounds; not item-specific):

• Many library-grade small molecules are formulated or handled as DMSO stock solutions (e.g., 10–20 mM) for high-throughput screening due to broad solubilizing power. If aqueous work is needed, co-solvents (DMSO or ethanol) and pH adjustment may assist dissolution for ionizable scaffolds. Always verify actual solubility for this exact item.
• Hygroscopicity or polymorphism can affect handling; check the CoA for form (free base vs. salt, solvate) and any noted hydration/solvation.

Verification:

• For any quantitative reporting or method validation, use the lot-specific CoA for definitive property values. When developing analytical methods (HPLC/LC–MS), begin with a scouting gradient and evaluate stability under autosampler conditions since some discovery compounds can exhibit hydrolysis or oxidative lability.

Quality and Grades

Item-specific quality/grade:

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

How to interpret quality for discovery compounds (general guidance; verify against CoA):

• Library/Screening grade typically emphasizes structural identity (NMR/LC–MS) and assay-ready purity (commonly ≥95 area% by HPLC/UPLC). Final acceptance limits, analytical methods, and reporting (e.g., residual solvents, water by KF) vary by supplier and must be confirmed on the CoA.
• If provided stabilized or as a specific salt form, the stabilizer/counterion will be listed on the CoA. No stabilizer is specified in the current Product Data for this item.
• UV transparency or low-fluorescence attributes are relevant when used in optical assays; these are not specified here and should be confirmed analytically.

Recommended verification upon receipt:

• Record lot/CoA number and retain SDS.
• Perform quick-check purity by UPLC with PDA and/or LC–MS to verify identity and assess impurities in your own method matrix.
• If biological assays are planned, filter stock solutions (0.22 μm PTFE/RC) and confirm concentration by UV or qNMR where feasible.

Documentation note:

• For any regulatory filing or GLP/GMP-adjacent work, this catalog item is for research use only; it is not released under pharmacopoeial or GMP grades unless explicitly stated on the label/CoA.

Reaction and Applications

This product is positioned as a research small molecule within a compound library rather than as a general synthetic reagent.

Applications (general, non-therapeutic; not item-specific claims):

• Chemical biology and screening: Employed as a tool compound candidate in target validation, SAR exploration, and phenotypic screening workflows. Confirm target and potency from primary literature associated with CAS 1394076-92-6 prior to study design.
• Analytical characterization: Suitable for development of LC–MS/MS quantitation methods (e.g., in vitro stability, microsomal incubation studies) after verifying ionization behavior and fragmentation. Establish calibration using verified purity from CoA.
• Physicochemical profiling: Can be used for logD, pKa, and solubility determinations to inform formulation or assay design. Employ standardized protocols (shake-flask logD, potentiometric pKa) and report conditions.

Not typical uses:

• It is not generally used as a building block, catalyst, or solvent in synthetic methodology. Therefore, guidance on cross-coupling or named-reaction participation is not generally applicable without a confirmed structure.

Practical tips:

• If used in cell-based assays, pre-screen for aggregation (e.g., using DLS or detergent controls) and redox activity (e.g., resazurin interference tests).
• Validate stability in assay buffer and under light. Some discovery compounds can undergo hydrolysis/oxidation; include time-course controls and store working solutions chilled and protected from light.

Reaction Conditions

As supplied, GNE-317 is intended for use as a research tool compound, not a reagent or substrate in general organic synthesis. Therefore, no item-specific reaction conditions are applicable or provided in the Product Data.

General experimental considerations if the compound is used in laboratory studies (not item-specific):

• Stock preparation: Dissolve in dry, anhydrous DMSO for biological assays; filter through 0.22 μm if sterility or particulate control is required. Verify concentration by UV or qNMR.
• Stability scouting: Assess stability in intended media (buffered saline, culture media, assay buffers) over relevant timescales (hours–days) at ambient and 37°C. Monitor by LC–MS for degradation products.
• Light/oxygen sensitivity: If aromatic or conjugated, protect solutions from light; consider inert atmosphere if oxidative lability is suspected.
• Adsorption: Use low-bind plastics or silanized glass for low-concentration solutions to limit analyte loss.

If pursuing chemical transformations of this molecule (derivatization):

• Only proceed after confirming the exact structure. Start with mild conditions and orthogonal protection strategies to preserve labile motifs. Perform small-scale trials and rigorous analytical verification after each step.

Note: No literature reaction conditions specific to CAS 1394076-92-6 are cited here; consult primary publications and the CoA for definitive guidance.

Safety and Handling

Authoritative safety information must be taken from the SDS for this exact SKU/lot.

Item-specific hazard data from Product Data:

• GHS classification: Not specified for this item; refer to SDS.
• Signal word: Not specified for this item; refer to SDS.
• H-statements: Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions for small-molecule research compounds (not item-specific):

• Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and nitrile gloves. Avoid inhalation of dust/aerosols and skin/eye contact.
• Prevent environmental release; collect waste in properly labeled, compatible containers for solvent/organic waste streams per institutional policy.
• Incompatibilities: Unknown for this item; as a precaution, avoid strong oxidizers and strong acids/bases until specific compatibility is confirmed from SDS/CoA.
• First aid (general): In case of skin contact, wash with soap and water; eye contact, rinse cautiously with water for several minutes; inhalation, move to fresh air; ingestion, rinse mouth. Seek medical attention and provide SDS to responders.
• Thermal/photostability: Not specified for this item. Store and dispense under low-light conditions if the compound is aromatic/conjugated (common for discovery compounds) until stability is confirmed.

Spill/accident response:

• Avoid raising dust. Absorb with inert material (e.g., silica, vermiculite) for solids; contain and wipe small spills for DMSO solutions. Dispose as hazardous chemical waste.

Solvent Selection

Item-specific solubility data are not provided in the Product Data for GNE-317; consult the CoA/SDS and perform a small-scale solubility screen.

General solvent guidance for drug-like small molecules (literature-based, not item-specific specifications):

• Primary stock solvent: Dimethyl sulfoxide (DMSO) is commonly used for screening libraries due to broad solubilizing capacity for polar and nonpolar scaffolds and compatibility with most biological assays at ≤0.1–1% v/v.
• Co-solvent systems: For aqueous assays, DMSO or ethanol co-solvent (≤1–2% v/v) combined with buffered saline is typical. Surfactants (e.g., 0.01–0.05% Tween 80) can reduce aggregation artifacts in biochemical assays; validate per assay.
• Alternative organic media for chemistry/analytics: Acetonitrile, methanol, DMF, or ethyl acetate can be chosen based on polarity and chromatographic behavior. For LC–MS, ACN/H2O with 0.1% formic acid or ammonium buffers are common.

Selection tips (practical):

• Begin with DMSO solubility check at intended stock concentration; warm to 37–40°C and sonicate if necessary. Avoid prolonged heating if stability is unknown.
• Avoid adsorptive losses: use low-binding polypropylene or silanized glass for low-concentration solutions.
• For NMR, start with DMSO-d6 or CD3OD; if insoluble, consider CDCl3/CD3CN mixtures, depending on functional groups.

Comparison snapshot (general):

• DMSO: highest solvency; hygroscopic; can affect some assays.
• Ethanol: good solvency; higher assay compatibility than DMSO in certain cell systems.
• DMF/DMAC: strong solvency; consider toxicity and assay interference.
• ACN/MeOH: analytical convenience; may have limited solubility for highly lipophilic scaffolds.

Storage and Reconstitution

Item-specific conditions (from Product Data):

• Storage: Store at −20°C.
• Shipping: Shipped in an ice chest with ice pads to maintain a cold chain.

Additional handling guidance (general best practices for small molecules; not item-specific specs):

• Upon receipt: Allow the sealed container to equilibrate to room temperature before opening to minimize condensation. Reseal promptly after use.
• Long-term stability: Not specified for this item; refer to CoA/Spec Sheet. If stability is unknown, consider storing desiccated and protected from light, with headspace purged by inert gas.
• Reconstitution: If supplied as a solid, dissolve in anhydrous DMSO or another suitable solvent to prepare a concentrated stock. If supplied in solution, verify solvent and concentration on the label/CoA prior to dilution.
• Aliquoting: Prepare single-use aliquots to avoid repeated freeze–thaw cycles. Store aliquots at −20°C or below, protected from light.
• Working solution stability: Not specified for this item; perform a short-term stability check (e.g., 24–48 h at 4–25°C) in intended assay buffers/media and monitor by LC–MS or HPLC.
• Container choice: Use amber vials or foil wrapping for light-sensitive compounds and low-bind plastics/silanized glass to reduce adsorption, especially at low μM–nM concentrations.

Always defer to the CoA/SDS for lot-specific guidance on storage, stability, and reconstitution solvents for this product.

Structure and Identity

Overview: GNE-317 (SKU: G413834) is supplied as a research-use-only small molecule from our small-molecule/compound library offering.

Item-specific identifiers (from Product Data):

• CAS: 1394076-92-6
• PubChem CID: 70676303
• InChIKey: 423569 (note: atypical format; verify against CoA/SDS if needed)
• Product Category: Small molecules and compound libraries

Item-specific structural data provided:

• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChI: Not specified for this item; refer to CoA/Spec Sheet.

General structural notes (context; not item-specific):

• “GNE-” nomenclature commonly denotes discovery compounds originating from Genentech programs; such entities are typically heteroatom-rich, drug-like scaffolds (e.g., containing one or more aromatic systems, heteroaromatics, amide/urea/amine linkages), optimized for biochemical assays. These are general expectations only; consult the CoA for the definitive structure of this exact lot/SKU.

2D structure description (general guidance):

• Without an item-specific structure, a precise 2D description cannot be provided. For accurate depiction (ring systems, functional groups, stereochemistry), retrieve the structure file (SDF/Mol) from the CoA or PubChem (CID: 70676303) and verify against lot documentation prior to reporting or method development.

Synthetic Utility

GNE-317 is offered as a discrete, assay-ready small molecule rather than as a general synthetic building block. Without item-specific structural information, detailed retrosynthetic or functional-group reactivity guidance cannot be provided.

General considerations for complex discovery molecules (context; not item-specific):

• Such compounds often contain multiple heteroatoms (N, O, S) and heteroaromatic systems. These features can present liabilities in synthetic manipulations (e.g., susceptibility to oxidative degradation, acid/base lability) and can complicate protecting-group strategies.
• If derivative synthesis or bioconjugation is desired, first confirm the precise structure and functional groups from the CoA or primary literature (PubChem CID: 70676303). Potential modification vectors might include peripheral aryl substituents, solubilizing side chains, or capping groups, but this is speculative until the structure is confirmed.

Analytical support for any synthetic work:

• Use LC–MS to rapidly assess reaction progress and impurity profiles.
• Employ orthogonal purity checks (qNMR vs. HPLC area%) when planning further transformations or pharmacology studies.

Bottom line: Treat this item as a tool compound for screening rather than a reagent for methodology development unless and until the exact structure and functional handles are verified for your intended transformations.

Target Specificity

No target specificity data (e.g., molecular target, pathway, enzyme class, or binding profile) are provided in the Product Data for GNE-317. Accordingly:

• Antigen/epitope, clone, isotype, and species reactivity are not applicable, as this is not an antibody or protein reagent.
• Any putative biological target(s) must be confirmed by the user from primary literature sources corresponding to CAS 1394076-92-6 or PubChem CID: 70676303 before drawing conclusions in mechanistic studies.

Recommendation:

• If target engagement is central to your application, perform orthogonal validation (biochemical potency, cellular target modulation, and genetic corroboration) and include appropriate negative/positive control compounds with distinct chemotypes to mitigate target-misselection risk.