AZD1332 - Moligand™ , Inhibitor of neurotrophic receptor tyrosine kinase 1;Inhibitor of neurotrophic receptor tyrosine kinase 2;Inhibitor of neurotrophic receptor tyrosine kinase 3, CAS No.A607855, Inhibitor of neurotrophic receptor tyrosine kinase 1;Inhibitor of neurotrophic receptor tyrosine kinase 2;Inhibitor of neurotrophic receptor tyrosine kinase 3

CAS: A607855 Cat. No.: A607855 PubChem CID: 49831044

GRADE & PURITY Moligand™

Synonyms

AZD 1332;AZD-1332

Storage

Room temperature

Specifications

Synonymes

AZD 1332;AZD-1332

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of neurotrophic receptor tyrosine kinase 1;Inhibitor of neurotrophic receptor tyrosine kinase 2;Inhibitor of neurotrophic receptor tyrosine kinase 3

Noms et identifiants

• Sourires canoniques: CC(Oc1n[nH]c(c1)Nc1nc(ncc1Cl)NC(c1ccc(cn1)F)C)C
• IUPAC Name: 5-chloro-2-N-[1-(5-fluoropyridin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
• InChIKey: LBVKEEFIPBQIMD-UHFFFAOYSA-N
• INCHI: 1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)
• Isomères SMILES: CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F
• PubChem CID: 49831044

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: Halopyrimidines
• Alternative Parents: Aminopyrimidines and derivatives Alkyl aryl ethers Pyridines and derivatives Imidolactams Aryl fluorides Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Imidolactam - Azole - Pyrazole - Heteroaromatic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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

Cibles associées (humaines)

FGFR1 Tclin Fibroblast growth factor receptor 1 (1 Activities)

Discover Target: FGFR1

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

TNK2 Tclin Activated CDC42 kinase 1 (1 Activities)

Discover Target: TNK2

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

NTRK2 Tclin BDNF/NT-3 growth factors receptor (2 Activities)

Discover Target: NTRK2

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

NTRK1 Tclin High affinity nerve growth factor receptor (2 Activities)

Discover Target: NTRK1

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

NTRK3 Tclin NT-3 growth factor receptor (2 Activities)

Discover Target: NTRK3

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

IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

Discover Target: IGF1R

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

DAPK3 Tchem Death-associated protein kinase 3 (2108 Activities)

Discover Target: DAPK3

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

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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

MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

Discover Target: MAPK14

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

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

Discover Target: GSK3B

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

FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

Discover Target: FGFR1

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

ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

Discover Target: ROCK1

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

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

Discover Target: PIM1

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

JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

Discover Target: JAK3

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

PRKD3 Tchem Protein kinase C nu (2315 Activities)

Discover Target: PRKD3

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)

Discover Target: JAK2

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

FLT1 Tclin Vascular endothelial growth factor receptor 1 (6262 Activities)

Discover Target: FLT1

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

GSK3A Tclin Glycogen synthase kinase-3 alpha (3764 Activities)

Discover Target: GSK3A

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

MAP2K2 Tclin Dual specificity mitogen-activated protein kinase kinase 2 (1262 Activities)

Discover Target: MAP2K2

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

PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

Discover Target: PTK2

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

PRKAA1 Tclin AMP-activated protein kinase, alpha-1 subunit (2493 Activities)

Discover Target: PRKAA1

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

MST1R Tchem Macrophage-stimulating protein receptor (2327 Activities)

Discover Target: MST1R

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

MAPK9 Tchem c-Jun N-terminal kinase 2 (4655 Activities)

Discover Target: MAPK9

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

MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 (4127 Activities)

Discover Target: MAP2K1

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

MET Tclin Hepatocyte growth factor receptor (10718 Activities)

Discover Target: MET

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

CDK9 Tchem Cyclin-dependent kinase 9 (2495 Activities)

Discover Target: CDK9

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

CSNK1A1 Tchem Casein kinase I alpha (2581 Activities)

Discover Target: CSNK1A1

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

FYN Tclin Tyrosine-protein kinase FYN (5308 Activities)

Discover Target: FYN

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

NTRK1 Tclin Nerve growth factor receptor Trk-A (7922 Activities)

Discover Target: NTRK1

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

PRKACA Tchem cAMP-dependent protein kinase alpha-catalytic subunit (3475 Activities)

Discover Target: PRKACA

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

DYRK1A Tchem Dual-specificity tyrosine-phosphorylation regulated kinase 1A (6484 Activities)

Discover Target: DYRK1A

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

MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

Discover Target: MAPK8

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

CAMK2A Tchem CaM kinase II alpha (1938 Activities)

Discover Target: CAMK2A

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

PDGFRA Tclin Platelet-derived growth factor receptor alpha (5682 Activities)

Discover Target: PDGFRA

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

PRKCQ Tchem Protein kinase C theta (3319 Activities)

Discover Target: PRKCQ

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

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

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

RPS6KA3 Tchem Ribosomal protein S6 kinase alpha 3 (4284 Activities)

Discover Target: RPS6KA3

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

CDK7 Tchem Cyclin-dependent kinase 7 (1512 Activities)

Discover Target: CDK7

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

CSF1R Tclin Macrophage colony stimulating factor receptor (5179 Activities)

Discover Target: CSF1R

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

IKBKE Tchem Inhibitor of nuclear factor kappa B kinase epsilon subunit (3311 Activities)

Discover Target: IKBKE

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

CDK5 Tchem Cyclin-dependent kinase 5 (3021 Activities)

Discover Target: CDK5

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

YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)

Discover Target: YES1

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

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

Discover Target: AURKA

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

CLK2 Tchem Dual specificity protein kinase CLK2 (3942 Activities)

Discover Target: CLK2

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

TNK2 Tclin Tyrosine kinase non-receptor protein 2 (2836 Activities)

Discover Target: TNK2

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

CAMK1D Tchem CaM kinase I delta (2141 Activities)

Discover Target: CAMK1D

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

CLK4 Tchem Dual specificity protein kinase CLK4 (4053 Activities)

Discover Target: CLK4

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

RET Tclin Tyrosine-protein kinase receptor RET (6732 Activities)

Discover Target: RET

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

PAK4 Tchem Serine/threonine-protein kinase PAK 4 (3212 Activities)

Discover Target: PAK4

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

BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)

Discover Target: BTK

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

NTRK2 Tclin Neurotrophic tyrosine kinase receptor type 2 (3279 Activities)

Discover Target: NTRK2

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

ALK Tclin ALK tyrosine kinase receptor (7132 Activities)

Discover Target: ALK

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

TBK1 Tchem Serine/threonine-protein kinase TBK1 (3746 Activities)

Discover Target: TBK1

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

TYRO3 Tchem Tyrosine-protein kinase receptor TYRO3 (2906 Activities)

Discover Target: TYRO3

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

Mécanismes d'action

Application Protocols

• Item-specific (Product Data):
  • No validated application protocols, assay types, or recommended dilutions are provided for AZD1332.
• General handling protocol for small-molecule screening stocks (research use only):
  • Weigh-in: Allow vial to equilibrate to room temperature in a desiccator before opening to avoid moisture condensation.
  • Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Filter through 0.22 µm PTFE prior to sensitive assays.
  • Aliquoting: Dispense into low-bind tubes or plates; seal to minimize DMSO evaporation and water uptake.
  • Storage of stocks: −20 °C or −80 °C for long-term; avoid repeated freeze–thaw by preparing single-use aliquots. Record concentration, date, and lot.
  • Working solutions: Dilute into assay buffer to desired final concentration keeping DMSO constant across wells.
  • QC check: Verify concentration by UV (if chromophore known) or quantitative NMR/LC where possible.

Biological Roles

• Item-specific (Product Data):
  • No target, pathway, or mechanism information is provided for AZD1332.
• General considerations for small-molecule ligands in research:
  • Such compounds may act as binders, inhibitors, activators, or allosteric modulators in biochemical assays. Without target disclosure, treat AZD1332 as an uncharacterized test article.
  • Evaluate liabilities common to small molecules in biological systems: off-target binding, metabolic instability in cell-based assays, and nonspecific aggregation.
• Practical recommendations:
  • Determine basic physicochemical traits (pKa, logD at pH 7.4, solubility) once the structure is available to anticipate membrane permeability and protein binding.
  • In cell assays, include vehicle controls, test for cytotoxicity independently, and confirm on-target effects via orthogonal assays.
  • For biochemical assays, assess interference (fluorescence quenching, redox cycling, or assay reagent reactivity) using counter-screens.
• Documentation:
  • If you obtain target or pathway data from literature or internal screening, annotate aliquots with the specific form (free base vs salt), lot, and plate map to maintain data integrity.

Buffer Applications

• Applicability:
  • AZD1332 is a small organic molecule, not a buffering agent. It is not typically used to prepare buffer systems.
• Practical notes for assay buffers (general):
  • When dosing small molecules from DMSO stocks, select buffers compatible with a small percentage of organic co-solvent (e.g., PBS, HEPES, Tris). Maintain constant final DMSO across wells.
  • Adjust ionic strength and detergent (e.g., 0.01–0.05% Tween-20) to mitigate compound aggregation and surface adsorption.
  • Verify compound stability across the buffer pH range used in your assay; avoid reactive buffers (e.g., primary amine buffers) if the compound contains activated esters or aldehydes (structure not provided here, so confirm before use).

Green Alternatives

• Context:
  • Specific synthesis and solvent use for AZD1332 are not provided. The guidance below addresses greener handling of small-molecule ligands in discovery workflows.
• Greener solvent choices for stock preparation and analytics (general):
  • Prefer ethanol or water/ethanol mixtures where feasible over DMF/DMF–water. However, many discovery compounds require DMSO for adequate solubility.
  • For chromatographic purification, consider EtOAc/EtOH/heptane systems instead of dichloromethane/hexanes when compatible.
• Comparison (general; literature-based tradeoffs):
  • DMSO vs DMF: DMSO is less volatile and generally lower chronic toxicity concerns but is hygroscopic and has high boiling point, complicating removal.
  • Acetonitrile vs methanol for LC: ACN offers lower backpressure and UV transparency but is petro-derived; MeOH is renewable-friendly but increases pressure in UHPLC.
• Operational green practices:
  • Prepare concentrated stocks to minimize solvent volume in assays and reduce waste.
  • Use microscale screening formats (384/1536-well) to decrease solvent consumption.
  • Implement solvent recovery for large-scale method development.
• Note:
  • Any substitution must be validated for solubility, chemical stability, and biological assay performance.

Pharmaceutical Uses

• Item-specific (Product Data):
  • No pharmacopeial status, excipient role, or formulation guidance is provided for AZD1332.
• General notes (non-clinical; research only):
  • As a discovery ligand, AZD1332 may be used in pre-formulation research such as solubility, permeability (e.g., PAMPA, Caco-2), and stability assessments. These are research workflows, not medicinal claims.
  • Typical vehicles for in vivo method development (if permitted by your institution) include PEG400/saline, Captisol, or Tween/co-solvent systems; however, no in vivo guidance is provided or implied for this product. Ensure all uses comply with institutional policies and local regulations.
• Compliance reminder:
  • For research use only. Not for human or veterinary use. No clinical, diagnostic, or therapeutic claims are made or implied.

Physical Properties

• Item-specific (Product Data):
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Physical state, color, odor: Not specified for this item; refer to CoA/Spec Sheet.
• Literature/computed (general guidance when structure is known):
  • Melting point (solid organic small molecules): typically 80–250 °C (literature, scaffold-dependent). Specific value for AZD1332: Not available from provided data.
  • Boiling point: Not typically reported for complex small molecules due to decomposition; Not available for this item.
  • Density, refractive index: Not applicable unless liquid; Not available for this item.
  • Solubility: Not specified for this item. For screening compounds, DMSO stock solutions (10–50 mM) are commonly prepared; actual solubility must be verified experimentally.
  • logP/logD, pKa: Not available for this item; determine experimentally or via cheminformatics once structure is confirmed.
• Practical implications:
  • If hygroscopicity or polymorphism is a concern, record-keeping of lot-specific appearance and behavior on arrival is recommended.
  • For solubility screening, test a tiered solvent panel (water, PBS, MeOH, ACN, DMSO) and include co-solvent gradients to define working concentrations.

Quality and Grades

• Item-specific (Product Data):
  • Grade/Purity: Moligand™.
  • What this indicates: Moligand™ is our internal designation for small-molecule research ligands suitable for discovery screening, assay development, and medicinal chemistry workflows. It prioritizes identity confirmation and practical usability for in vitro research.
• Typical controls for Moligand™ items (general description):
  • Identity: Verified by orthogonal methods (e.g., LC–MS, HRMS, NMR) as available. Exact test set is lot-dependent; refer to CoA/Spec Sheet.
  • Purity reporting: May be LC or HPLC area% at a defined wavelength/gradient. Specific minimum purity for this item: Not specified for this item; refer to CoA/Spec Sheet.
  • Counter-ion/solvate state: If applicable, salt form is reported on the CoA. Not specified here.
  • Water, residual solvents, metals, UV cutoff, stabilizers: Not specified for this item; refer to CoA/Spec Sheet. Per rule, no assumptions are made.
• Practical guidance:
  • For quantitative biology/chemistry, confirm purity by an in-house quick LC method before critical experiments.
  • If you require enhanced specifications (e.g., trace metal limits for catalysis or low UV absorbance for analytics), contact us for a custom QC package.

Reaction and Applications

• Item-specific (Product Data):
  • Manufacturer applications: Not specified for this item beyond its inclusion in a small-molecule/compound library category.
• General research applications for library ligands:
  • Biochemical and cell-based screening as test articles in binding, enzymatic, or phenotypic assays. Prepare accurate DMSO stocks and verify assay compatibility.
  • Analytical reference: Use as a system-suitability or method-development probe once identity and purity are confirmed.
• If AZD1332 is to be used synthetically (derivatization):
  • Without a disclosed structure, specific transformations cannot be recommended. In general, library molecules often contain heteroaromatic cores amenable to late-stage diversification (e.g., N-oxidation, electrophilic aromatic substitution, cross-coupling if a handle exists). Confirm functional groups before attempting chemistry.
• Practical tips (general):
  • Confirm stability in assay buffers over the assay duration (chemical stability and adsorption to plastics).
  • Minimize freeze–thaw cycles of DMSO stocks (aliquot upon initial dissolution).
  • Assess aggregation (colloidal aggregators can cause artifactual inhibition); include detergent controls or DLS where appropriate.

Reaction Conditions

• Item-specific (Product Data):
  • No reaction condition data are provided for AZD1332.
• General conditions for common transformations of heteroaromatic/screening scaffolds (literature guidance, non-specific):
  • Cross-coupling (if aryl/vinyl halide present): Pd catalysts (e.g., Pd2(dba)3/XPhos), base (K3PO4), solvent (toluene/THF/dioxane), 60–110 °C, 2–16 h; typical yields 50–90% depending on substrate.
  • Nucleophilic substitutions (activated heteroaryl chlorides): Polar aprotic solvent (DMF/DMSO), base (DIPEA/K2CO3), 25–80 °C, 2–24 h.
  • Amide coupling (if COOH and amine present): HATU or EDCI/HOBt in DMF/DMF–DCM, 0–25 °C, 1–16 h.
  • Reductive amination (if carbonyl + amine): NaBH3CN or BH3·THF, MeOH/THF, pH-controlled, 0–25 °C, 1–12 h.
• Stability checks before reactions:
  • Assess tolerance to base/acid, heat, and oxygen by micro-scale tests and LC–MS profiling.
• Note:
  • These are generic literature conditions provided as orientation only; confirm compatibility with the actual functional groups of AZD1332 once available.

Safety and Handling

• Item-specific (Product Data):
  • Storage conditions: Room temperature (ambient). Protect from moisture and strong oxidizers as a general precaution for organic small molecules.
  • GHS classification, signal word, H-statements, pictograms: Not specified for this item; refer to SDS.
• General laboratory safety (not item-specific; defer to SDS):
  • PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). Handle in a fume hood to avoid inhalation of dust or aerosols.
  • Avoid contact with skin and eyes; prevent ingestion and inhalation. Wash thoroughly after handling.
  • Incompatibilities commonly relevant to organic ligands: strong acids/bases (may cause hydrolysis), strong oxidizing agents, and reducing agents depending on functional groups (unknown here).
  • First-aid overview: In case of skin/eye contact, rinse with water for at least 15 minutes and seek medical advice. If inhaled, move to fresh air. If swallowed, rinse mouth; do not induce vomiting; seek medical attention. Follow site SOPs.
  • Spill response: Avoid dust generation; contain and collect with inert absorbent. Dispose per institutional and regulatory guidance.
  • Thermal hazards: Many library compounds can decompose on heating; avoid unnecessary thermal stress. Do not autoclave unless validated safe.
• Documentation:
  • Always consult the lot-specific Safety Data Sheet (SDS) for authoritative hazard classification and exposure limits before use.

Solvent Selection

• Item-specific (Product Data):
  • No solubility profile provided for AZD1332; refer to CoA/Spec Sheet or perform a small-scale solubility screen.
• General guidance for small-molecule ligands (unknown polarity):
  • Stock solutions: DMSO is the default solvent for discovery compounds. Start at 10–50 mM and filter-sterilize if required by your assay.
  • Co-solvent strategies: For aqueous assays, dilute DMSO stocks into buffer keeping final DMSO ≤0.1–1% v/v to minimize assay interference; verify tolerance for your system.
  • Alternative solvents: DMF, methanol, ethanol, or acetonitrile may be used for sample prep, chromatography, and reactions. Select based on analyte stability and downstream compatibility.
  • Solubility screening protocol (suggested):
    • Test solubility at room temperature in water, PBS (pH 7.4), MeOH, ACN, and DMSO.
    • If insoluble, add gentle heat (≤40 °C) and sonication; avoid prolonged heating that may degrade sensitive motifs.
  • Analytical considerations: DMSO can create background in UV detection at <220 nm; ACN/water gradients are preferred for reverse-phase LC.
• Comparison (general):
  • DMSO: highest solvating power for diverse scaffolds; hygroscopic.
  • DMF: strong solvent; higher toxicity; harder to remove.
  • MeOH/EtOH: protic; can participate in hydrogen bonding/esterification; lower solvating power for very hydrophobic compounds.

Storage and Reconstitution

• Item-specific (Product Data):
  • Storage conditions: Room temperature.
  • Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Reconstitution (general guidance for small molecules):
  • Preferred solvent: Anhydrous DMSO for primary stock solutions, unless CoA specifies otherwise. If water solubility is claimed in future documentation, validate experimentally.
  • Concentration: 10–50 mM typical for screening stocks; adjust based on observed solubility and assay needs.
  • Filtration: Use 0.22 µm PTFE filters for particle removal if required.
• Stability and handling:
  • Protect from moisture and light until structural photosensitivity is assessed.
  • For long-term storage of DMSO stocks, maintain at −20 °C or lower in sealed containers; minimize freeze–thaw by aliquoting. Record freeze–thaw cycles if unavoidable.
  • Solid stability can vary with salt/solvate form; check CoA for specific recommendations.
• Documentation:
  • For any deviations from the above general practices, follow the lot-specific CoA/SDS instructions. For research use only.

Structure and Identity

• Item-specific (Product Data):
  • Product name: AZD1332 (SKU: A607855)
  • CAS: A607855 (catalog placeholder, not a CAS RN)
  • InChIKey: 195494 (as provided; appears non-standard length)
  • 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.
  • CID: 49831044 (database identifier; verify against vendor CoA prior to use)
• Literature/computed information:
  • Structural descriptors (2D features, functional groups, stereochemistry): Not available from provided data. Without a valid SMILES/InChI, specific structural features cannot be summarized. Consult primary literature or the certificate of analysis for definitive structure.
• General notes for small-molecule library compounds:
  • AZD- prefix often denotes a proprietary small molecule developed in discovery programs. Such molecules are typically heteroaromatic scaffolds with drug-like features (aromatic cores, heteroatoms enabling H-bonding, and substituents tuning lipophilicity). This is general context only and not specific to AZD1332.
  • For informatics workflows, confirm that the InChIKey and SMILES are consistent across sources; discrepancies can indicate alternate salts, tautomers, or stereoisomers.

Synthetic Utility

• Item-specific (Product Data):
  • The chemical structure and functional group content of AZD1332 are not provided; therefore, specific reactivity patterns cannot be stated.
• General strategies if derivatization is intended (after confirming structure):
  • Late-stage functionalization: If aryl halides or C–H activation handles are present, cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig, Sonogashira) enable rapid analogue generation.
  • Heteroaromatic tuning: N-oxides (for aza-arenes) or selective electrophilic substitutions can modulate electronics and solubility.
  • Handle protection: If free amines/alcohols are present, protect (Boc, Fmoc, TBDMS) before multi-step sequences to avoid side reactions.
  • Salt formation: For basic or acidic scaffolds, form salts (e.g., HCl, mesylate, sodium) to improve crystallinity and handling for purification and characterization.
• Analytical support:
  • Use LC–MS to monitor reactions; confirm identity of derivatives by HRMS and 1D/2D NMR once the parent scaffold is known.
• Caution:
  • Without definite structure, avoid assumptions about stability (e.g., sensitivity to acid/base, oxidation, light). Run small-scale tests first.

Target Specificity

• Item-specific (Product Data):
  • No target, enzyme, receptor, or pathway specificity data are provided for AZD1332.
• Guidance:
  • If used as a probe, determine on- vs off-target activity using orthogonal assays and counter-screens (e.g., kinase paneling, receptor selectivity, or phenotypic deconvolution) and document conditions with lot numbers for reproducibility.