EDP-305 - ≥96% , CAS No.1933507-63-1

CAS: 1933507-63-1 Cat. No.: E646709 Summenformel: C₃₆H₅₈N₂O₅S Molekulargewicht: 630.92 PubChem CID: 156583184

QUALITÄT & REINHEIT ≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

EDP-305 is an orally active, potent and selective farnesoid X receptor (FXR) agonist, with EC 50 values of 34 nM (chimeric FXR in CHO cells) and 8 nM (full-length FXR in HEK cells). EDP-305 shows a potent and consistent antifibrotic effect. EDP-305 can be used for primary biliary cholangitis (PBC) and non-alcoholic steatohepatitis (NASH) research

In Vitro

EDP‐305 (10 μM, 72 h) directly activates FXR in liver hepatoctyes but not stellate cells. EDP-305 (0-5 μM, 16 h) increases the expression of the FXR target gene, SHP, and downregulates CYP7A1 expression in HepaRG hepatocytes. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: Hepatic stellate cell (HSC) lines, primary HSCs and hepatocytes Concentration: 10 μM Incubation Time: 72 h Result: Induced mRNA expression of SHP and FGF19 in human hepatocytes, and elicited no induction of downstream targets SHP or FGF15/19 in stellate lines. RT-PCRCell Line: HepaRG hepatocytes Concentration: 0.05, 0.1, 0.5, 1, 5, 10, 50, 100, 500, 1000, 5000 nM Incubation Time: 16 h Result: Dose-dependently increased the expression of the FXR target gene, SHP, and downregulated CYP7A1 expression in HepaRG hepatocytes.

In Vivo

EDP‐305 (0-30 mg/kg, Oral gavage, daily for 2 weeks) reduces serum markers of liver injury, and reduces liver fibrosis in a dose-dependent manner in BDL rats . EDP‐305 (0-30 mg/kg, Oral gavage, daily for 6 weeks) reduces liver fibrosis in a dose-dependent manner in CDAHFD mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male CD rats (underwent BDL, n=24, n=8 for each group) Dosage: 0, 10 and 30 mg/kg Administration: Oral gavage, daily, started on day 4 after BDL and continued until days 17-18 Result: Significantly reduced alanine aminotransferase and aspartate aminotransferase. Showed a dose-dependent reduction in CPA. Reduced hydroxyproline levels in whole liver tissue samples. Reduced messenger RNA (mRNA) relative quantification (RQ) for both Col1a1 and actin, alpha 2, smooth muscle, aorta (Acta2). Animal Model: Male C57BL/6 mice (n = 24, fed a CDAHFD consisting of 60% kcal fat and 0.1% methionine) Dosage: 0, 10 and 30 mg/kg Administration: Oral gavage, daily, started at the beginning of week 6 on the diet and were continued until week 12 Result: Reduced serum triglycerides, and significantly reduced hydroxyproline and MR liver signal intensity in a dose-dependent manner. Showed a dose‐dependent reduction in mRNA expression of lysyl oxidase genes Lox and Loxl1-4.

Form:Solid

IC50& Target:IC50: 8 ± 3 nM (Full-length FXR in HEK cells), 34 ± 8 nM (Chimeric FXR in CHO cells), >15000 nM (TGR5 in CHO cells)

Spezifikationen

Spezifikationen & Reinheit

≥96%

Biochemische und physiologische Mechanismen

EDP-305 is an orally active, potent and selective farnesoid X receptor (FXR) agonist, with EC 50 values of 34 nM (chimeric FXR in CHO cells) and 8 nM (full-length FXR in HEK cells). EDP-305 shows a potent and consistent antifibrotic effect. EDP-305 can be

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

ACTIVATOR

Reinheit

≥96%

Namen und Kennungen

Kanonisches Lächeln

CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCNC(=O)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C)C)C)O

IUPAC Name

1-(4-tert-butylphenyl)sulfonyl-3-[(3R)-3-[(3S,5R,6R,7R,8R,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]urea

InChIKey

SJKLCUGQVVYDCX-YNNXSQSESA-N

INCHI

1S/C36H58N2O5S/c1-8-26-30-21-24(39)15-18-36(30,7)29-16-19-35(6)27(13-14-28(35)31(29)32(26)40)22(2)17-20-37-33(41)38-44(42,43)25-11-9-23(10-12-25)34(3,4)5/h9-12,22,24,26-32,39-40H,8,13-21H2,1-7H3,(H2,37,38,41)/t22-,24+,26-,27-,28+,29+,30-,31-,32-,35-,36-/m1/s1

PubChem CID

156583184

Molekulargewicht

630.92

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 100 mg/mL (158.50 mM)

Application Protocols

No assay validations (e.g., WB, IHC, IF, FC) are provided for this item. The following generic protocols are offered as practical guidance for small-molecule screening compounds and are not item-specific.

• DMSO Stock Preparation

  • Bring vial to room temperature in a desiccator. Add anhydrous DMSO to achieve a target concentration (commonly 10–50 mM). Vortex/sonicate briefly until fully dissolved. Record exact concentration by mass and volume.
  • Aliquot into low-bind tubes (e.g., 10–50 µL) to minimize freeze–thaw.

• Working Solution for Cell-based Assays

  • Prepare serial dilutions in DMSO (e.g., 10× concentrates), then add 1 part to 9 parts pre-warmed media to reach the final test concentration. Keep final DMSO ≤0.1–0.5% v/v.
  • Include vehicle controls and, if available, a positive control compound.

• Biochemical Assays

  • Dilute DMSO stocks into assay buffer with vigorous mixing. Verify that the compound remains in solution and does not interfere with detection (fluorescence/absorbance).

• Analytical Verification

  • Confirm concentration and purity of stock and post-dilution samples by HPLC/LC–MS when critical to study outcomes.

Adjust conditions to your assay system; validate stability and adsorption (e.g., to plastics) prior to extended incubations.

Biological Roles

Item-specific biological function is not provided in the Product Data. The following is general, literature-oriented context for researchers and must be verified against your experimental aims.

• Literature commonly describes EDP-305 as a small-molecule modulator investigated in the farnesoid X receptor (FXR) chemical space. The exact mechanism, binding parameters, and functional potency for any given lot must be established experimentally by the user; consult primary literature and verify with your CoA.
• Typical research uses for compounds in this class include probing bile acid signaling pathways, nuclear receptor transcriptional responses, and downstream gene expression changes in hepatic or intestinal models. Assays can include FXR reporter luciferase, RT-qPCR of canonical targets, and bile acid transport studies.
• Off-target profiling and cytotoxicity benchmarking are recommended to contextualize on-target effects. Use appropriate vehicle controls and, where possible, orthogonal assays (e.g., biochemical binding vs cell-based transcription).

Important: No therapeutic, diagnostic, or clinical claims are made or implied. All statements here are general literature context, not item-specific specifications. Users should run internal qualification (potency curves, selectivity panels, stability in media/serum) prior to relying on any biological conclusions.

Buffer Applications

This item is a small-molecule research compound and is not a buffering agent. Classical buffer preparation (pH control, ionic strength) is not applicable.

Practical guidance for assay media (general, not item-specific):

• Prepare a concentrated DMSO stock, then dilute into your assay buffer or cell culture medium immediately before use. Maintain a low vehicle fraction (commonly ≤0.1–0.5% v/v DMSO) to avoid perturbing osmolarity or cell health.
• If precipitation occurs upon dilution, introduce the stock slowly with mixing, pre-warm buffers to 25–37 °C, or increase the dilution factor. Consider using a co-solvent strategy (e.g., DMSO:buffer 1:99) and confirm compound remains in solution over the assay duration.
• Filter sterilization (0.22 µm PTFE) of working solutions can be considered, provided the compound is not adsorbed significantly; verify by recovery checks.

For any pH-dependent stability, conduct a small pH screen (e.g., pH 6.5–8.0) to identify optimal assay conditions. Item-specific pKa and stability are not provided here; consult CoA/Spec Sheet or determine empirically.

Green Alternatives

Because EDP-305 is used as a dissolved analyte/ligand rather than a reaction solvent or reagent, “green alternatives” primarily concern solvent choices for stock preparation and assay dilution.

General greener practices (not item-specific):

• Prefer minimal volumes of high-boiling, high-toxicity solvents. Start with DMSO due to small required volumes and compatibility at low final percentages; evaluate ethanol or water-based co-solvent systems if solubility allows.
• Replace DMF with DMSO or water-miscible biofriendly vehicles when feasible. Avoid chlorinated solvents for routine stock handling.
• Reduce single-use plastics by preparing concentrated master stocks and aliquoting to minimize waste and freeze–thaw.

Illustrative comparison (general; not item-specific):

• DMSO vs DMF: DMSO typically offers similar or better solubility with a more favorable safety profile and broader biological acceptance.
• DMSO vs ethanol: Ethanol is more volatile and often provides lower solubility for hydrophobic molecules; however, it may be suitable for rapid assays at very low final percentages.
• Aqueous + cyclodextrin: Can enhance apparent solubility and reduce DMSO load; must be validated to avoid assay interference.

Note: Since no item-specific solubility or stability data are provided, select environmentally responsible vehicles only after verifying compatibility and compound integrity by analytical testing.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation specifications are provided for this item. It is supplied strictly for research use only and is not intended for human or veterinary use, clinical diagnostics, or as an active pharmaceutical ingredient.

General formulation-related considerations for in vitro research (not item-specific):

• For dose-ranging in cell culture, deliver via DMSO stock into media; confirm final solvent content does not adversely affect cells or assay readouts.
• For in vivo exploratory research in laboratory animals (if within institutional approvals), vehicles such as PEG400/saline, 0.5% methylcellulose, or 10% Solutol HS15 are sometimes employed for hydrophobic small molecules; compatibility and stability must be developed de novo for this compound and are not specified here.
• Light and oxidation sensitivity should be evaluated before long-term formulation storage; include appropriate antioxidants or protect from light only after confirming compatibility.

Any manufacturing, GMP, or clinical formulation context is outside the scope of this listing. For regulatory-grade information, no data are provided; refer to CoA/Spec Sheet and do not use for clinical purposes.

Physical Properties

Item-specific data

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• 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/Not specified for this item; refer to CoA/Spec Sheet.
• Aqueous solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (for small-molecule research compounds; literature/practice, not item-specific)

• Solubility screening is recommended before use. Typical solvents to attempt: DMSO (first choice for bioactive libraries), DMF, ethanol, methanol; if needed, co-solvent systems (DMSO + aqueous buffer) or minimal amounts of PEG400 or cyclodextrin vehicles.
• For biological assays, prepare a concentrated DMSO stock (e.g., 10–50 mM), then dilute into assay buffer or media, maintaining a low final DMSO fraction (≤0.1–0.5% v/v is commonly used to minimize vehicle effects).
• If the compound is poorly soluble, gentle warming (≤37 °C) and brief sonication can assist dissolution. Avoid prolonged heat or light exposure until stability is established from batch documentation.

Note: Where precise numerical specifications are needed for method development (e.g., LC method robustness, solubility ceilings, stability profiles), consult the CoA/Spec Sheet and SDS for the specific lot.

Quality and Grades

Item-specific quality information

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

Interpreting common quality descriptors (general guidance)

• Research-/Screening-grade small molecules are typically qualified by HPLC/UPLC purity, identity (NMR/LC–MS/HRMS), and residual solvent levels. UV cutoff and trace metal specs are generally not defined unless the product is intended for photophysical or catalytic applications.
• If your application is LC–MS-based quantitation or high-sensitivity biology, request the latest CoA including: HPLC purity method/trace, assay on anhydrous basis vs. as-is, residual solvents (GC), water content (Karl Fischer), and salt/solvate form.
• For structure–activity studies, confirm stereochemical integrity (chiral HPLC) where relevant.

Batch-to-batch documentation

• Each lot may vary in residual solvent, hydration/solvation state, and polymorph. Use the provided CAS/CID to cross-check identity, but rely on the lot-specific CoA for acceptance criteria.

If you require a defined grade (e.g., ≥98% HPLC), please contact us prior to ordering to confirm availability. In absence of explicit values here, treat all specifications as: Not specified for this item; refer to CoA/Spec Sheet.

Reaction and Applications

This product is offered as a bioactive small-molecule research compound rather than a synthetic reagent. As such, it is not typically chosen as a stoichiometric reactant, catalyst, or auxiliary for general organic synthesis.

Applicable uses (research context; not item-specific):

• Preparation of DMSO stock solutions for screening in biochemical or cell-based assays.
• Use in target engagement studies (e.g., reporter gene assays, binding assays, transcriptional readouts) where the compound’s activity is evaluated under controlled in vitro conditions.
• Structure–activity relationship (SAR) exploration, where EDP-305 can serve as a reference comparator within an FXR-agonist chemical space (literature characterization; confirm against your study design).

Not typically applicable:

• Named synthetic reactions (e.g., Grignard, cross-coupling) and general transformation chemistry are not relevant to this item.

Practical tips (general):

• Verify identity and purity via LC–MS and HPLC before critical studies.
• Establish a working concentration range by dose–response in your assay system, ensuring the vehicle (DMSO) control is matched.
• Evaluate compound stability in stock and in assay buffer over your assay timeframe (e.g., 4–48 h), using LC–MS to monitor degradation or adsorption losses.

All uses are for research only; no clinical or diagnostic applications.

Reaction Conditions

Not typically applicable. EDP-305 is not supplied for use as a reagent in named synthetic transformations, and no item-specific reactivity or catalytic conditions are provided.

General guidance relevant to handling as an analyte/ligand (not item-specific):

• Stock preparation: Dissolve in anhydrous DMSO under ambient conditions. If needed, gently warm (≤37 °C) and sonicate briefly to assist dissolution.
• Assay dilutions: Add stock to buffer or media with vigorous mixing to prevent local supersaturation. Confirm absence of precipitation by visual inspection and, ideally, by analytical sampling.
• Stability checks: Incubate working solutions under assay conditions and analyze by LC–MS or HPLC at 0, 4, 24, and 48 h to detect degradation.

If you intend to perform any chemical modification or conjugation, please establish reaction conditions empirically after obtaining the full structure from the CoA/Spec Sheet; no literature conditions specific to this item are asserted here.

Safety and Handling

GHS and hazard information (item-specific)

• Signal Word: Not specified for this item; refer to SDS.
• H-Statements: Not specified for this item; refer to SDS.
• GHS Classification/Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (good practice; not item-specific)

• Handle in a chemical fume hood; avoid inhalation of dust/aerosols and contact with skin/eyes.
• Wear appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). Change gloves regularly and after contamination.
• Avoid ingestion and injection; do not pipette by mouth. Wash hands thoroughly after handling.
• Prevent environmental release; collect waste in properly labeled organic waste streams per institutional and regulatory guidelines.

Storage incompatibilities and stability (general)

• Protect from moisture, light, and heat until specific stability data are known. Store sealed under inert gas if hygroscopic/oxidation-sensitive behavior is suspected.
• Do not mix with strong oxidizers, strong acids/bases, or reactive reducing agents unless compatibility is confirmed.

First-aid overview (consult SDS for definitive guidance)

• Skin/eye contact: Rinse with water for ≥15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
• Inhalation: Move to fresh air; seek medical attention if symptoms develop.
• Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Always defer to the product SDS and your institution’s EHS guidance for authoritative safety information.

Solvent Selection

Applicability

• EDP-305 is supplied as a small-molecule library compound. Solvent selection primarily concerns preparation of concentrated stock solutions and subsequent dilutions for in vitro assays.

General selection strategy (not item-specific)

• Primary solvent: DMSO is the standard for discovery compounds due to high solubilizing power and broad biological compatibility at low final percentages.
• Secondary options: DMF, ethanol, methanol, and mixtures thereof. For aqueous delivery, pre-dissolve in DMSO, then dilute into buffer or media while keeping final DMSO ≤0.1–0.5% v/v (typical practice).
• Co-solvent systems: For challenging solubility, consider DMSO + PEG400 or small amounts of non-ionic surfactants (e.g., polysorbate 80) or cyclodextrin carriers; validate against your assay system to avoid interference.

Comparison (general considerations)

• DMSO: maximal solubility; may affect some enzyme or cell assays above ~0.5% v/v.
• Ethanol: volatile, lower solvating power; acceptable for some biochemical assays at ≤1% v/v.
• Aqueous buffers: lowest toxicity to cells but require prior dissolution and may precipitate hydrophobic compounds.

Because no item-specific solubility or pKa/logD is provided, run a small solubility screen (e.g., 1, 10, 50 mM targets in DMSO; visual inspection and LC–MS confirmation). Document any precipitation after aqueous dilution.

Storage and Reconstitution

Item-specific storage/shipping (from Product Data)

• Storage Conditions: Store at -20°C.
• Shipped In: Ice chest + Ice pads.

Reconstitution (general guidance; not item-specific)

• Allow vial to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation.
• Dissolve in anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM). If sterile working solutions are required, pass through a 0.22 µm PTFE filter after dissolution.
• Aliquot into small volumes (low-bind tubes) to avoid repeated freeze–thaw cycles.

Storage after reconstitution (general)

• Store DMSO stocks at -20°C or below, protected from light. Avoid frost-free freezers that cycle temperatures.
• For short-term use (≤1–2 weeks), 4°C storage may be acceptable if stability is verified analytically. Long-term stability is not specified; confirm by HPLC/LC–MS.
• Minimize headspace and consider inert gas backfill if oxidation is a concern; verify necessity by stability testing.

Stability notes

• No item-specific stability, hygroscopicity, or light-sensitivity data are provided here. Treat the compound as potentially sensitive to moisture, heat, and light until proven otherwise. Consult the CoA/Spec Sheet and SDS for any batch-specific guidance.

Structure and Identity

Item-specific identifiers (from Product Data)

• Product Name: EDP-305 (research chemical)
• CAS: 1933507-63-1
• PubChem CID: 156583184
• InChIKey: 337544 (as provided)
• 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 notes

• The vendor listing does not include a structure. As such, specific functional groups, ring systems, and stereochemical descriptors cannot be confirmed from the Product Data.
• EDP-305 is a single, well-defined small molecule used in discovery research. Any detailed structural depiction (2D or 3D) should be obtained directly from the Certificate of Analysis (CoA), Spec Sheet, or authoritative databases using the CAS/CID above.

2D description (general)

• Without an explicit SMILES/InChI, a verbal 2D description cannot be provided for this item. If you require exact atom connectivity, please request the current CoA or consult PubChem (CID 156583184) and cross-verify with the latest batch documentation.

Important

• When building analytical methods (NMR, LC–MS, HRMS), use the CAS/CID as a starting point but always verify against the supplied batch documentation to confirm isomeric purity and any salt/solvate form, if applicable.

Synthetic Utility

EDP-305 is offered as a characterized small-molecule research compound, not as a synthetic building block. Consequently, its routine value in multi-step organic synthesis is limited compared with simpler, functionalized intermediates.

Not typically applicable:

• Use as a nucleophile/electrophile precursor, ligand, catalyst, or protecting group is not customary and is not supported by the Product Data.

Potential research utility (general):

• Reference compound in medicinal chemistry optimization campaigns to benchmark potency or selectivity in a given target class (literature context). It can inform SAR trends but is not a modular synthon.
• Analytical method development standard for LC–MS retention time and fragmentation pattern within a compound series, subject to acquisition of spectral data from the supplied batch.

If synthetic derivatization is planned, first confirm the exact functional groups and stereochemical features from the CoA or authoritative databases; then design transformations accordingly, noting that late-stage diversification of complex ligands often suffers from low yields and selectivity challenges. No item-specific functional group reactivity can be asserted here.

Target Specificity

Item-specific target, epitope, clone/isotype, or species reactivity data are not provided in the Product Data for EDP-305.

• No validated biochemical targets, Ki/IC50/EC50 values, or selectivity panels are included with this listing. Please refer to your internal data, the latest literature, or request additional documentation if available.
• Any mention of potential targets in public sources should be treated as literature context only and verified experimentally with the supplied lot.

Therefore, for this catalog item, Target Specificity is: Not specified for this item; refer to CoA/Spec Sheet.