Ilginatinib hydrochloride - 10mM in DMSO , CAS No.1239358-85-0

CAS: 1239358-85-0 Cat. No.: I655718 Formula: C₂₁H₂₁ClFN₇ Peso molecolare: 425.89 PubChem CID: 89571724

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Ilginatinib hydrochloride (NS-018 hydrochloride) is a highly active and orally bioavailable JAK2 inhibitor, with an IC 50 of 0.72 nM, 46-, 54-, and 31-fold selectivity for JAK2 over JAK1 ( IC 50 , 33 nM), JAK3 ( IC 50 , 39 nM), and Tyk2 ( IC 50 , 22 nM).

In Vitro

Ilginatinib hydrochloride (NS-018 hydrochloride) is a highly active JAK2 inhibitor, with an IC 50 of 0.72 nM, 46-, 54-, and 31-fold selectivity for JAK2 over JAK1 (IC 50 , 33 nM), JAK3 (IC 50 , 39 nM), and Tyk2 (IC 50 , 22 nM). Ilginatinib hydrochloride also inhibits Src-family kinases, especially SRC and FYN, and weakly inhibits ABL and FLT3 with 45- and 90-fold selectivity for JAK2, respectively. Ilginatinib hydrochloride shows potent inhibitory activity against cell lines JAK2V617F or MPLW515L mutations or the TEL-JAK2 fusion gene (expressing a constitutively activated JAK2) with IC 50 of 11-120 nM, but has only minimal cytotoxicity against most other hematopoietic cell lines that have no constitutively activated JAK2. Ilginatinib hydrochloride (0.5 μM) preferentially suppresses colony-forming unitgranulocyte/macrophage (CFU-GM) formation from myelodysplastic syndrome (MDS)-derived bone marrow mononuclear cells (BMMNCs). Ilginatinib hydrochloride (1 μM) suppresses the phosphorylation of STAT3 (the downstream kinase of JAK2) in CFU-GM-forming cells from MDS patients. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Ilginatinib hydrochloride (NS-018 hydrochloride) (12.5, 25, 50, 100 mg/kg, p.o.) potently prolongs the survival of mice and reduces splenomegaly in a mouse Ba/F3-JAK2V617F disease model . Ilginatinib hydrochloride (25, 50 mg/kg, p.o.) significantly reduces leukocytosis, hepatosplenomegaly and extramedullary hematopoiesis, improves nutritional status, and prolongs survival in JAK2V617F transgenic mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Assay

Bone marrow mononuclear cells (BMMNCs) from healthy volunteers and myelodysplastic syndrome (MDS) patients are incubated in MethoCult GF H4434 methylcellulose medium containing various hematopoietic cytokines at 1.0 × 10 5 cells/mL with or without Ilginatinib (NS-018) at 37°C in a humidified atmosphere of 5% CO 2 . Commercially available purified normal human CD34-positive (CD34 + ) BM cells are used as a control. Burst-forming unit-erythroid (BFU-E) and colonyforming unit-granulocyte/macrophage (CFU-GM) colonies are counted under an inverted microscope on day 14 of culture. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

IC50& Target:JAK2 0.72 nM (IC 50 ) Tyk2 22 nM (IC 50 ) JAK1 33 nM (IC 50 ) JAK3 39 nM (IC 50 )

Specifiche

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Ilginatinib hydrochloride (NS-018 hydrochloride) is a highly active and orally bioavailable JAK2 inhibitor, with an IC 50 of 0.72 nM, 46-, 54-, and 31-fold selectivity for JAK2 over JAK1 ( IC 50 , 33 nM), JAK3 ( IC 50 , 39 nM), and Tyk2 ( IC 50 , 22 nM).

Condizioni di conservazione di stoccaggio

Desiccated,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

Nomi e identificatori

Isomeri SMILES

C[C@@H](C1=CC=C(C=C1)F)NC2=CC(=CC(=N2)NC3=NC=CN=C3)C4=CN(N=C4)C.Cl

PubChem CID

89571724

Peso molecolare

425.89

Application Protocols

No tested applications or validated protocols are provided in the Product Data for this SKU.

• Item-specific protocols: Not specified for this item; refer to CoA/Spec Sheet.

• Note

  • For internal method development, establish SOPs covering stock preparation, dilution schemes, plate handling, and stability monitoring appropriate to your assay platform. Ensure all uses comply with the Research Use Only restriction.

Biological Roles

Item-specific biological targets, pathways, and roles are not provided in the Product Data for Ilginatinib hydrochloride.

• Item-specific data

  • Target/protein family: Not specified for this item; refer to CoA/Spec Sheet or primary literature.
  • Mode of action: Not specified for this item; refer to CoA/Spec Sheet or primary literature.

• General context (not item-specific)

  • Small-molecule hydrochloride salts used in research are often designed to interact with intracellular enzymes or receptors (e.g., kinases, GPCRs, ion channels), serving as tool compounds to probe biochemical pathways.
  • In cell-based systems, uptake, efflux, and intracellular pH can influence effective concentration for protonated amine-containing compounds.
  • Off-target profiling and counterscreens are typically required to define selectivity and mechanistic hypotheses.

• Practical notes

  • When characterizing biological roles, establish concentration–response curves with appropriate controls, verify compound identity/purity for each lot, and monitor stability in assay media.
  • Use orthogonal assays (biochemical vs cellular) and time-course studies to distinguish direct target effects from downstream pathway responses.

Research Use Only: This product is intended exclusively for laboratory research. No clinical, diagnostic, or veterinary uses are permitted.

Buffer Applications

This compound is not a buffering agent and is not typically employed to control solution pH.

• Item-specific buffer data: Not specified for this item; refer to CoA/Spec Sheet.

• Practical guidance (general)

  • If dissolving in aqueous buffers for assays, select buffers with pH well within the stability window of the compound (pilot LC–MS stability tests recommended).
  • Common biological buffers (HEPES, PBS, Tris) are typically suitable as diluents once a concentrated stock is prepared in DMSO; confirm compatibility with your readout and avoid precipitation upon dilution.

For detailed buffer composition or pH range recommendations, rely on your assay’s standard operating procedures rather than the compound itself.

Green Alternatives

For discovery screening compounds such as hydrochloride salts of small molecules, classical “green alternatives” are less about replacing the compound and more about minimizing environmental footprint of its use.

• Solvent and process considerations (general guidance)

  • Prefer aqueous buffers and ethanol over high-toxicity solvents when solubility and assay design permit.
  • Keep DMSO concentrations as low as assay-compatible (e.g., ≤0.1–0.5% v/v) to reduce solvent usage and waste.
  • Use microplate formats and miniaturized volumes to lower chemical consumption and waste generation.
  • Consolidate analytical runs and use short LC gradients to limit solvent use; consider water-rich mobile phases.

• Materials management

  • Choose low-bind polypropylene vials to reduce re-preparation due to adsorption losses, which indirectly reduces solvent and compound waste.
  • Implement closed, labeled waste streams for halogenated vs non-halogenated solvent waste to facilitate responsible disposal.

• Comparative note (general)

  • Salt vs free base: selecting the more soluble form (often the HCl) can reduce reliance on aggressive organic co-solvents, improving the greenness of preparation and assay media.

• Energy and storage

  • Plan aliquoting to minimize freezer-door time and dry ice shipments. Batch ordering and coordinated receiving can reduce cold-chain energy and packaging materials.

These practices are general sustainability measures; no item-specific eco-profile is available for this SKU.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided for this item in the Product Data.

• Item-specific notes

  • Formulation/excipient use: Not specified for this item; refer to CoA/Spec Sheet.
  • Regulatory status: Not specified for this item; this product is sold strictly for research use only.

• General context (not item-specific; no therapeutic claims)

  • Hydrochloride salts are commonly selected in drug discovery for enhanced aqueous solubility and crystallinity, aiding in preclinical formulation development and solid-state studies.
  • In preformulation research, assessments may include solubility across pH, polymorph screening, hygroscopicity, and stability under ICH conditions; such data are application- and compound-specific and are not provided here.

• Laboratory formulation guidance (general)

  • For in vitro work, DMSO master stocks diluted into aqueous media are commonplace; for in vivo preclinical research (if permitted under institutional approvals), vehicle selection typically balances solubility, tolerability, and stability. Any such use must follow institutional and legal restrictions and is outside the scope of this catalog entry.

This product is not approved for human or diagnostic use.

Physical Properties

Item-specific physicochemical constants are not provided in the Product Data.

• Item-specific values

  • 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 to salts under ambient pressure; decomposition generally precedes boiling (general statement).
  • Density: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility: Not specified for this item; refer to CoA/Spec Sheet.
  • LogP/logD: 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 for a solid; Not specified for this item; refer to CoA/Spec Sheet.

• General/literature expectations for hydrochloride salts (not item-specific)

  • Many amine hydrochlorides are crystalline solids, often hygroscopic to mildly hygroscopic.
  • Compared to the corresponding free base, the HCl salt typically shows higher water solubility and lower solubility in nonpolar organic solvents; DMSO and DMF are commonly effective solvents for stock solutions in screening applications.
  • Thermal behavior: salts often display a defined decomposition/melting onset rather than a clean boiling point at ambient pressure.

• Practical notes

  • If preparing analytical solutions (HPLC/LC–MS), pre-test solvent compatibility (water, acetonitrile, methanol, DMSO) and assess stability over time; use amber vials if chromophores are suspected. Exact quantitative values should be verified from the CoA or by in-house characterization.

Quality and Grades

• Item-specific quality

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

• Interpreting grade and purity (general guidance)

  • Research-grade small molecules are commonly offered with purity specified by HPLC/UPLC or NMR. Higher purities (e.g., ≥95–98% by HPLC) minimize confounding signals in bioassays and analytical work. Exact numerical specifications should be taken from the item’s CoA.
  • Where applicable, residual solvent content, counterion content (chloride assay), and water content (KF) may be reported on the CoA to support quantitative work.

• Stabilizers and form (item-specific)

  • Stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
  • Counterion: hydrochloride (from the product name). The HCl salt form can enhance aqueous solubility, provide improved solid-state stability, and deliver consistent titration of the basic site(s).

• Recommended verification (good practice)

  • Confirm identity and purity by orthogonal methods (e.g., 1H NMR in DMSO-d6/D2O, HRMS, and HPLC/LC–MS) upon receipt if your application is highly sensitive.
  • For quantitative biology or screening, record lot-specific potency data only after verifying purity and concentration (accurate weighing under low humidity or assay by qNMR).

For any specification critical to your workflow (purity threshold, residual metals/halides, UV cutoff), consult the CoA/Spec Sheet or request documentation from Aladdin Scientific.

Reaction and Applications

This product is primarily intended as a research small molecule (tool/ligand) rather than a synthetic reagent. No manufacturer application notes are provided for this SKU.

• Manufacturer Applications (verbatim): Not provided in Product Data.

• Typical research uses for small-molecule hydrochloride salts (general; not item-specific)

  • Biochemical and cell-based assays to explore target engagement, pathway modulation, or SAR comparisons with related analogs.
  • Analytical method development (LC–MS response characterization, stability-indicating methods, partitioning studies).
  • Reference standard for chromatography or mass spectrometry in discovery workflows.

• Not typically used for

  • Stoichiometric synthetic transformations or as a classical reagent (e.g., base, nucleophile) due to the protonated/basic nature of the hydrochloride salt and typically complex structures.

• Practical guidance

  • Prepare concentrated DMSO master stocks under dry conditions to maintain accurate concentration; aliquot to avoid repeated freeze–thaw cycles.
  • Assess stability under assay conditions (light, temperature, pH) prior to large screens by small pilot studies (e.g., time-course LC–MS).

For any target-specific applications, consult primary literature and your institutional approvals; this product is for research use only.

Reaction Conditions

This product is not positioned as a reagent for stoichiometric or catalytic transformations; no item-specific reaction conditions are provided.

• Item-specific conditions: Not specified for this item; refer to CoA/Spec Sheet.

• General handling in solution (not item-specific)

  • Prepare concentrated stocks in dry DMSO or DMF where compatible; verify solubility and stability by analytical methods (e.g., LC–MS, HPLC-UV).
  • For biochemistry assays, maintain DMSO at the lowest compatible percentage, typically ≤0.1–0.5% v/v, and equilibrate plates to temperature to minimize precipitation.
  • Avoid strong bases in solution if the hydrochloride salt form is required, as deprotonation can lead to free-base precipitation and concentration drift.

If you intend to perform chemical transformations on this compound, consult structural information from the CoA and carry out small-scale feasibility tests to define appropriate conditions.

Safety and Handling

Safety information specific to this item is limited in the Product Data and should be confirmed in the SDS.

• GHS classification (item-specific)

  • Signal word: Not specified for this item; refer to SDS.
  • Hazard statements (H-codes): Not specified for this item; refer to SDS.
  • Pictograms: Not specified for this item; refer to SDS.

• General laboratory precautions for small-molecule hydrochloride salts (not item-specific)

  • Handle in a chemical fume hood to avoid inhalation of dust or aerosols.
  • Wear appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). Avoid skin/eye contact and ingestion.
  • Avoid generating dust; use antistatic measures when weighing microgram–milligram quantities.
  • Incompatibilities: strong bases (may liberate free base), strong oxidizers; avoid contact with reactive acylating/alkylating agents unless intended for synthesis.
  • Hygroscopicity: many HCl salts absorb moisture; keep containers tightly closed with desiccant.

• First-aid overview (consult SDS for definitive guidance)

  • Inhalation: move to fresh air; seek medical attention if symptoms persist.
  • Skin/eye contact: rinse with water for at least 15 minutes; remove contaminated clothing; seek medical advice if irritation occurs.
  • Ingestion: rinse mouth; do not induce vomiting; seek medical attention.

• Storage and shipping (item-specific)

  • Storage: Desiccated, Store at -80°C (Product Data).
  • Shipped: on dry ice packs + cold packs (Product Data).

Always consult the product’s SDS for authoritative hazard, exposure limits, spill response, and disposal instructions.

Solvent Selection

• Polarity and form considerations

  • As a hydrochloride salt, the compound is expected (general guidance) to be more polar than its free base and therefore more amenable to dissolution in polar aprotic solvents (DMSO, DMF) and water/buffer at suitable pH.

• Item-specific solubility: Not specified for this item; refer to CoA/Spec Sheet.

• Practical solvent choices (general, not item-specific)

  • Screening stocks: DMSO is typically preferred for 10–50 mM master stocks due to broad solvating power and assay compatibility at ≤0.1–0.5% v/v in wells.
  • Aqueous buffers: Hydrochloride salts may dissolve readily in water or physiological buffers; confirm pH stability and avoid basic pH that could free-base precipitate.
  • Co-solvent systems: For kinetic/biophysical assays, mixtures such as water:acetonitrile or water:methanol can be tuned to maintain solubility while minimizing DMSO content.
  • Nonpolar solvents: Expected to be poor for the salt form; if needed, convert to the free base (where permitted) or use stronger polar aprotics.

• Comparison (general)

  • HCl salt vs free base: salts often show higher water solubility but lower solubility in nonpolar media; free bases are the reverse. Choose the form that best matches your matrix and application.

• Tips

  • Filter or centrifuge stock solutions to remove particulates before quantitative assays.
  • Pre-test for adsorption losses on plastics; use low-bind polypropylene or glass vials as needed.

Storage and Reconstitution

• Storage (item-specific)

  • Desiccated, Store at -80°C (Product Data). Keep tightly closed in the original container with desiccant to minimize moisture uptake.

• Shipping (item-specific)

  • Shipped on dry ice packs + cold packs to maintain low temperature during transit (Product Data).

• Reconstitution

  • Item-specific solvent recommendations and concentrations: Not specified for this item; refer to CoA/Spec Sheet.

• General guidance (not item-specific)

  • Allow the sealed container to equilibrate to room temperature before opening to avoid moisture condensation.
  • If solution preparation is required, use anhydrous solvents (e.g., DMSO) and sterile technique where sterility is critical to the application. Prepare single-use aliquots to limit freeze–thaw cycles.
  • Store solutions at low temperature protected from light as compatible with your application; verify stability by analytical methods before long-term use.

Always consult the lot-specific CoA and SDS for definitive handling, stability, and storage information.

Structure and Identity

Ilginatinib hydrochloride is provided as a small-molecule research compound in its hydrochloride (protonated amine) salt form.

• Item-specific identifiers

  • CAS: 1239358-85-0 (Product Data)
  • CID: 89571724 (Product Data)
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

• Structural features (general expectations for hydrochloride salts; not item-specific)

  • Hydrochloride salts typically contain at least one basic nitrogen atom (e.g., tertiary or secondary amine) present as an ammonium chloride in the solid state.
  • The salt form often enhances aqueous solubility and solid-state stability relative to the free base.

• 2D structural description (general)

  • Without an item-specific structure, a precise atom connectivity cannot be described. As a hydrochloride, the counterion is Cl− associated with a protonated amine functionality on the organic cation.

Notes

• Where exact structure, stereochemistry, and identifiers (InChI, SMILES) are required for regulatory filings or computational work, consult the Certificate of Analysis (CoA) or specification sheet for this exact lot.

Synthetic Utility

As supplied, Ilginatinib hydrochloride is intended as a research small molecule rather than a synthetic building block or reagent.

• Item-specific reactivity: Not specified for this item; refer to CoA/Spec Sheet for any functional groups relevant to derivatization.

• General considerations for hydrochloride salts in synthesis (not item-specific)

  • The protonated amine (as the HCl salt) is typically less nucleophilic; free-basing (e.g., with aqueous NaHCO3/NaOH followed by extraction) is commonly performed prior to N-alkylation/acylation if derivatization is desired.
  • Salt formation can aid in purification and isolation of basic compounds but is rarely the optimal form for carrying out further transformations without neutralization.
  • If the molecule contains additional functional handles (e.g., aryl halides, nitriles, amides), standard cross-coupling or condensation chemistry might be applicable after appropriate protection/deprotonation; such features are unknown for this item.

Given the specialized nature and likely complexity of the scaffold, the compound is better viewed as a final tool compound rather than a modular synthon.

Target Specificity

No target, enzyme, receptor, or pathway specificity is provided in the Product Data for Ilginatinib hydrochloride.

• Item-specific details
  • Primary target(s): Not specified for this item; refer to CoA/Spec Sheet or primary literature.
  • Off-target profile: Not specified for this item.
  • Species reactivity: Not applicable.

For any mechanistic or selectivity information, consult peer-reviewed literature and verify with in-house profiling under your assay conditions.

Domande frequenti

How should this product be stored?

Store at ?80 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 1239358-85-0, the molecular formula is C21H21ClFN7, and the molecular weight is 425.89 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.