JI-101 - 10mM in DMSO , Vascular endothelial growth factor receptor 2 inhibitor, CAS No.900573-88-8, Vascular endothelial growth factor receptor 2 inhibitor

CAS: 900573-88-8 Cat. No.: J655004 Formula: C₂₂H₂₀BrN₅O₂ Peso molecolare: 466.3 PubChem CID: 11691242

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

JI-101 is an orally available multi-kinase inhibitor of VEGFR2 , PDGFRβ and EphB4 with potent anti-cancer activity.

In Vitro

JI-101 is found to be stable in all preclinical and human liver microsomes. The % metabolized is ranged between 3.03-3.95 across the tested species liver microsomes. The % metabolized is relatively higher in mice liver microsomes followed by dog, human and rat liver microsomes. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

JI-101excreted through bile along with its mono- and di-hydroxy metabolites. Following oral administration, JI-101 is rapidly absorbed, reaching C max within 2 h. The t 1/2 of JI-101 with intravenous and oral route is found to be 1.75±0.79 and 2.66±0.13 h, respectively. The Cl and Vd by intravenous route for JI-101 are found to be 13.0±2.62 mL/min/kg and 2.11±1.42 L/kg, respectively. The tissue distribution of JI-101 is extensive with rapid and preferred uptake into lung tissue. Overall, the oral bioavailability of JI-101 is 55% and the primary route of elimination for JI-101 is feces . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

IC50& Target:VEGFR2 PDGFRβ

Specifiche

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

JI-101 is an orally available multi-kinase inhibitor of VEGFR2 , PDGFRβ and EphB4 with potent anti-cancer activity.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Tipo di azione

INHIBITOR

Meccanismo d'azione

Vascular endothelial growth factor receptor 2 inhibitor

Proprietà del prodotto

ALogP

3.4

Nomi e identificatori

Isomeri SMILES

COC1=C(C=C(C=C1)Br)NC(=O)NC2=C3C=CN(C3=CC=C2)CC4=CC(=NC=C4)N

CAS alternativo

900573-88-8

PubChem CID

11691242

Termini MeSH

1-(1-(2-amino-pyridin-4-ylmethyl)-1H-indol-4-yl)-3-(5-bromo-2-methoxyphenyl)urea;JI 101;JI-101;JI101 cpd

Peso molecolare

466.3

Application Protocols

Item-specific tested applications and recommended conditions: Not specified for this item; refer to CoA/Spec Sheet.

General guidance

• Because no validated protocols are provided in the Product Data, users should develop and optimize protocols according to their assay platform (e.g., biochemical kinase inhibition, cell-based phospho-signaling assays), incorporating appropriate controls, solvent matching, and plate layouts.

Documentation

• Record preparation, dilution schemes, plate maps, and raw data in ELN/LIMS. Include lot number and any observed solubility/stability notes to ensure reproducibility.

Biological Roles

Scope: The following points summarize literature/contextual information about the research space in which JI-101 is used. They are NOT product specifications and do not imply clinical suitability.

Literature context

• JI-101 has been reported as a small-molecule inhibitor studied against receptor tyrosine kinases involved in angiogenic signaling (e.g., VEGF/PDGF pathways). Such compounds are used to perturb phosphorylation cascades that regulate endothelial cell proliferation, migration, and vascular permeability in in vitro models.
• As a chemical probe, JI-101 can support target validation by correlating kinase pathway modulation with downstream biomarkers (e.g., changes in phospho-ERK/AKT or endothelial tube formation assays). Off-target profiling is often executed to map selectivity and anticipate pathway cross-talk.

Experimental considerations

• Establish concentration–response relationships across relevant cellular models; include time-course studies to disentangle immediate kinase signaling effects from secondary transcriptional responses.
• Use chemoproteomics or kinase panel profiling (where available) to define on-/off-target engagement; confirm with genetic perturbations (siRNA/CRISPR) for triangulation.

Caveats

• Biological roles deduced from chemical inhibition must consider compound-dependent potency, permeability, efflux, and protein binding. Results may not generalize across cell types or species.
• No therapeutic or diagnostic use is implied. For research use only, as stated in the Product Data.

Buffer Applications

Applicability: JI-101 is not a buffer reagent. However, its performance in biochemical and cellular assays depends on the composition of the assay buffer or medium.

General guidance (non-item-specific)

• Biochemical kinase assays: Common buffers include 25–50 mM HEPES or Tris (pH 7.2–7.5), 5–10 mM MgCl2/MnCl2 (for ATP-dependent reactions), 0.01–0.05% Tween 20/80 to reduce nonspecific binding, and 0.1% BSA to mitigate adsorption. Maintain constant DMSO across all conditions (e.g., 0.1–0.5% v/v).
• Cell-based assays: Use serum-containing media consistent with the model; pre-equilibrate compound dilutions to avoid precipitation upon dosing. Consider protein binding in FBS, which can reduce free compound concentration.
• Solubility aids: When necessary, prepare intermediate DMSO stocks (e.g., 10–50 mM) and dilute stepwise into buffer/medium with vigorous mixing to avoid local supersaturation.

Quality controls

• Include vehicle controls matching DMSO and any surfactants. Inspect for turbidity/precipitation visually or by light scattering. If precipitation is observed, lower the top concentration or adjust co-solvent within assay-tolerated limits.

Note: No specific buffer recipes or pH ranges are specified for this item in the Product Data; consult assay SOPs and validate empirically.

Green Alternatives

Green chemistry considerations here focus on solvent choice and waste minimization during handling of small-molecule probe compounds rather than on replacing the active itself.

Solvent and workflow choices (general guidance)

• Prefer DMSO over DMF/NMP where feasible for stock solutions due to lower regulatory concern and better biodegradability profile; still manage as hazardous waste.
• For purification/analytical work, replace chlorinated solvents with greener options (e.g., ethyl acetate/heptane gradients) when compatible with the compound’s polarity and stability.
• Minimize solvent volumes by adopting microplate-based serial dilutions and acoustic dispensing to reduce plastic and solvent waste.

Comparison (general; illustrative only)

• DMSO vs DMF/NMP: DMSO often offers equal or better solvency for aromatic heterocycles with improved EHS profile; DMF/NMP carry reproductive toxicity classifications in many jurisdictions.
• ACN vs MeOH in LC: MeOH is a greener alternative with lower toxicity; method re-optimization may be required due to different eluotropic strength/viscosity.

Operational practices

• Use amber vials and low-temperature storage to extend solution shelf-life, thereby reducing re-preparation waste.
• Consolidate screening plates to maximize well utilization; adopt plate maps that minimize dead volume in reservoirs.

Note: No item-specific greener “replacement compound” is proposed, as JI-101 is a discrete research tool. Implement process-level improvements to achieve greener outcomes.

Pharmaceutical Uses

This product is supplied strictly for research use only; it is not intended for human or veterinary use, clinical diagnostics, or as an active pharmaceutical ingredient.

Formulation research context (general; not item-specific)

• Early discovery studies may explore preformulation attributes such as solubility in biorelevant media, chemical stability (pH/light/oxidation), and permeability (e.g., PAMPA, Caco-2) to understand structure–property relationships. Such data are not provided for this item and must be generated by the user if needed.
• For in vivo exploratory research (where permitted by institutional approvals), typical vehicles for hydrophobic small molecules include mixtures of PEG400/EtOH/saline, Captisol solutions, or Tween-based co-solvent systems; compatibility should be verified for the specific compound. No vehicle recommendations are specified for this item.

Regulatory and compendial status

• No pharmacopeial monograph or excipient status is provided for this item. Do not use in drug product manufacturing.

Operational guidance

• Maintain detailed records of lot identity, purity, and any reconstitution steps in ELN/LIMS.
• If scaling beyond microgram–milligram amounts, perform additional impurity and stability analysis to ensure reproducibility across studies.

Reminder: No therapeutic claims are made or implied. For research use only.

Physical Properties

Item-specific properties

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/Boiling Point, Density, Refractive Index, pKa, logP/logD, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility (specification): Not specified for this item; refer to CoA/Spec Sheet.

General/literature-based guidance (for planning only; not specifications)

• Small-molecule kinase inhibitors are commonly hydrophobic crystalline solids with good solubility in polar aprotic solvents (e.g., DMSO) and limited aqueous solubility at neutral pH. Typical working stocks are prepared at 10–50 mM in anhydrous DMSO and diluted into assay buffers immediately before use, keeping final DMSO ≤0.1–0.5% v/v to limit solvent effects.
• Aqueous solubility may be improved by co-solvent systems (DMSO:buffer), pH adjustment (if ionizable groups exist), or inclusion of non-ionic surfactants (e.g., 0.01–0.05% Tween 80) for biochemical assays. Validate that such additives do not perturb the biological readout.
• If the compound contains chromophores (common in kinase inhibitors), expect measurable absorbance in the UV region; determine exact λmax and extinction coefficient empirically for quantitative studies.

Practical notes

• Filter-sterilize diluted solutions through low-binding PTFE/nylon (0.22 μm) when sterility is required. Avoid cellulose esters if adsorption is observed.
• Assess stability of DMSO stock at room temperature and 4 °C during handling; minimize freeze–thaw cycles by preparing single-use aliquots.

Quality and Grades

Item-specific information

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

How to interpret grades for library compounds (general guidance)

• Library/screening grade compounds are typically provided with an HPLC/UPLC purity report and identity confirmation (e.g., MS, sometimes NMR). Common acceptance criteria for discovery screening are ≥95% area by HPLC at a specified wavelength; however, this is NOT specified for this item and must be confirmed on the CoA.
• If a stabilizer, salt form, or solvate/hydrate is present, it will be declared on the CoA. These can influence potency, solubility, and mass for dosing calculations.

Recommended QC upon receipt (best practices)

• Verify identity by LC–MS against a reference spectrum.
• Check purity using your analytical method (HPLC/UPLC, orthogonal wavelengths) to ensure suitability for your assay window.
• Determine water content (KF) and residual solvents if your application is moisture/solvent sensitive.

Documentation

• Request lot-specific CoA/SDS for exact purity, counterion, residual solvents, and analytical methods used.
• If integrating into regulated workflows (e.g., GLP discovery), record all vendor lot data in your ELN/LIMS and consider performing confirmatory testing per your internal SOPs.

Reaction and Applications

Context: JI-101 is supplied as a bioactive research compound rather than a synthetic reagent. Accordingly, “applications” primarily relate to its use as a chemical probe or screening hit in biochemical and cellular assays.

Research applications (general/literature)

• Employed in pathway interrogation studies involving receptor tyrosine kinases implicated in angiogenic signaling. Literature describes JI-101 as a multi-kinase inhibitor used to modulate signaling cascades in vitro for target validation and mechanism-of-action studies.
• Suitable for high-throughput screening (HTS), hit confirmation, and dose–response profiling (IC50/EC50 determination) under carefully controlled solvent conditions.
• Utilized in combination studies to assess pathway redundancy or synergy; solvent matching and time-course design are critical to interpret results.

Assay design considerations (best practices)

• Establish compound stability windows in assay media (time, temperature, light). If instability is suspected, prepare fresh dilutions immediately prior to use.
• Control for DMSO concentration uniformly across all wells/conditions; include vehicle and positive-control inhibitors.
• Confirm on-target effects with orthogonal readouts (e.g., biochemical kinase assay vs. phospho-protein Western blot or phospho-ELISA).

Not typically applicable

• As a finished small molecule tool compound, JI-101 is not commonly used as a synthetic building block or reagent in named organic transformations. If derivatization or conjugation is planned, first confirm functional handles and stability from structural documentation.

Reaction Conditions

This section is generally not applicable because JI-101 is supplied as a finished bioactive small molecule rather than a reagent for performing chemical reactions. No item-specific reaction conditions are provided in the Product Data.

Relevant handling conditions for research use (general guidance)

• Stock preparation: Commonly 10–50 mM in anhydrous DMSO; filter if needed using 0.22 μm PTFE. This is general practice and not a specification for this item.
• Working concentrations: Determine empirically based on assay sensitivity; include a broad concentration range (e.g., 10-point half-log serial dilutions) to define IC50/EC50 with robust curve fitting.
• Temperature/light: Prepare and handle under ambient lab lighting unless light sensitivity is indicated; store aliquots at −80 °C as specified and minimize time at room temperature.
• Stability checks: Use LC–MS or HPLC to assess integrity after thaw; discard aliquots showing degradation or precipitation.

If employing chemical reactions for derivatization (not typical)

• Select dry, oxygen-free conditions if sensitive heterocycles are present; use inert atmosphere (N2/Ar) as appropriate.
• Validate compatibility of any coupling reagents or bases with the compound’s functional groups, which must be confirmed from structural documentation.

Safety and Handling

Authoritative data for this specific item

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

General laboratory safety guidance (non-specific)

• Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and disposable nitrile gloves. Avoid inhalation of dust/aerosols and skin/eye contact. Do not ingest.
• Prevent environmental release; dispose of waste in accordance with institutional and local regulations, typically as halogen-free organic waste unless otherwise indicated by the SDS.
• If supplied as a dry solid, avoid dust formation and use anti-static measures. If supplied in DMSO, note DMSO’s skin-permeation properties and avoid dermal exposure.

First-aid overview (consult SDS for definitive instructions)

• Inhalation: Move to fresh air, seek medical attention if symptoms occur.
• Skin contact: Wash with soap and water; remove contaminated clothing.
• Eye contact: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do.
• Ingestion: Rinse mouth; seek medical advice.

Storage incompatibilities and stability

• Follow Product Data: Store at −80 °C. Keep container tightly closed, protected from light and moisture. Allow vials to equilibrate to ambient temperature in a desiccator before opening to minimize condensation.
• Avoid strong oxidizers and reducing agents unless compatibility is known. For solution stocks, avoid repeated freeze–thaw; prepare single-use aliquots.

Always defer to the SDS and institutional EHS policies for definitive safety guidance.

Solvent Selection

Applicability: JI-101 is a research small molecule typically handled as a concentrated organic stock and diluted into aqueous assay media.

General selection guidance (non-specification)

• Primary solvent for stock: DMSO (anhydrous) is preferred for many hydrophobic inhibitors due to broad solvency, chemical inertness to many functionalities, and assay compatibility at low percentages.
• Alternative solvents: DMF or NMP can solubilize recalcitrant compounds but are less favored in biological assays due to cytotoxicity. For physicochemical studies, acetonitrile or methanol may be suitable co-solvents.
• Aqueous compatibility: Dilute DMSO stocks into buffer immediately before use. Maintain final DMSO typically ≤0.1–0.5% v/v in biochemical or cell assays; determine solvent tolerance empirically for your system.

Small comparison (general)

• DMSO: highest solvency, good stability; consider hygroscopicity and skin permeation.
• ACN/MeOH as co-solvents: facilitate rapid mixing; can affect protein stability and cell viability at >1–2% v/v.
• Buffer additives: 0.01–0.05% non-ionic surfactant (e.g., Tween 80 or Pluronic F-68) may improve dispersion; validate for assay interference.

Practical tips

• Warm solutions gently (room temp) and vortex/sonicate briefly to ensure complete dissolution; avoid heating above ambient unless stability is established.
• Use low-binding plasticware or silanized glass for low-nM dose–response studies to minimize adsorption losses.

Storage and Reconstitution

Item-specific (from Product Data)

• Storage Conditions: Store at −80 °C.
• Shipped In: Dry ice packs + Cold packs.
• Appearance, concentration (if solution), and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance (for planning; not specifications)

• If supplied as a solid: Allow the vial to warm in a desiccator to room temperature before opening to prevent moisture condensation. Prepare a concentrated stock (e.g., 10–50 mM) in anhydrous DMSO. Vortex and, if necessary, sonicate briefly to ensure complete dissolution. Filter through 0.22 μm PTFE if particulate persists.
• If supplied as a DMSO solution: Thaw on ice or at room temperature, mix gently, and keep protected from light. Avoid repeated freeze–thaw by preparing single-use aliquots upon first thaw.

Aliquoting and stability

• Dispense single-use aliquots into inert, low-binding microvials (amber, if light sensitivity is suspected). Return unopened material to −80 °C promptly after handling.
• Track cumulative time above −20 °C for each aliquot; discard if precipitation or degradation is observed (verify by HPLC/LC–MS where critical).

Compatibility

• Dilute stocks into assay buffer/media immediately before use. Keep final DMSO at a level tolerated by your assay (often ≤0.1–0.5% v/v). Verify solubility and lack of precipitation across the entire concentration range used.

Research Use Note

• For research use only, as stated in the Product Data.

Structure and Identity

Brief: JI-101 (CAS 900573-88-8) is supplied as a research-use small molecule from a compound library.

Item-specific (from Product Data)

• SKU: J655004
• Product Name: JI-101
• CAS: 900573-88-8
• Category: Small molecules and compound libraries (研究/筛选用)
• 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.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general/contextual, literature)

• JI-101 is referenced in the literature as a synthetic, drug-like small molecule investigated as a multi-kinase inhibitor in angiogenic signaling studies. Exact functional groups, heterocycles, and stereochemistry must be confirmed from the certificate of analysis (CoA) or primary literature for the specific lot supplied.

2D structure description

• Not available in the Product Data. As a best practice, consult the CoA or vendor-provided structural file (SDF/MOL) for an authoritative representation before drawing or registering in ELNs/LIMS.

Identity confirmation guidance (general best practice)

• Verify identity via orthogonal methods (e.g., 1H NMR, HRMS, HPLC/UPLC purity) when integrating into screening decks or mechanistic assays.
• If used in cheminformatics/virtual screening, ensure the structure (tautomer/protomer state, stereochemistry) is consistent across databases prior to analysis.

Synthetic Utility

Applicability: JI-101 is offered as a finished small-molecule research tool rather than a synthetic building block or reagent.

Not typically applicable

• There is no item-specific information indicating reactive handles tailored for downstream derivatization, coupling, or conjugation. Use in standard organic transformations (e.g., cross-couplings, condensations) is not typical for such tool compounds unless a custom SAR program is being pursued.

If derivatization is planned (general considerations)

• Confirm exact structure, functional group compatibility, and stability from the CoA/structural files before attempting modifications.
• Assess solubility in anhydrous organic solvents suitable for your transformation (e.g., DMF/DMSO/THF) and protect any sensitive moieties if present.
• Monitor reactions using orthogonal analytical methods (LC–MS, UV, HRMS) due to potential chromophore interference and overlapping UV signatures common to kinase inhibitors.

Analytical characterization (best practices)

• For any synthesized analogs, document full characterization (1H/13C NMR, HRMS, purity by HPLC, and where relevant, chiral purity) to ensure comparability across SAR datasets.

Conclusion

• Treat JI-101 primarily as a bioactive probe for biochemical and cellular studies. For synthetic applications, rely on verified structural information and standard medicinal chemistry workflows.

Target Specificity

Item-specific target data

• Target(s), binding constants (Ki/Kd/IC50), selectivity panels, and related bioactivity metrics: Not specified for this item; refer to CoA/Spec Sheet or primary literature.

Notes

• While JI-101 is cited in the literature as a multi-kinase inhibitor in angiogenic signaling research, Aladdin’s product listing for SKU J655004 does not include validated target specificity data. Users should consult peer-reviewed sources and perform in-house profiling under their assay conditions.

Domande frequenti

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 900573-88-8, the molecular formula is C22H20BrN5O2, and the molecular weight is 466.3 g/mol.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.