(S)-Crizotinib - Moligand™, ≥98% , CAS No.1374356-45-2

CAS: 1374356-45-2 Cat. No.: S288194 Summenformel: C21H22Cl2FN5O Molekulargewicht: 450.34
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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
3-[(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Deutschland (EU)
USA*
Price
Qty
5mg
S288194-5mg
—
2 Auf Lager
88,42€
10mg
S288194-10mg
—
1 Auf Lager
145,69€
25mg
S288194-25mg
—
2 Auf Lager
225,53€
50mg
S288194-50mg
—
1 Auf Lager
354,82€
100mg
S288194-100mg
—
1 Auf Lager
607,33€
250mg
S288194-250mg
—
1 Auf Lager
804,31€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
3-[(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine
Spezifikationen & Reinheit
Moligand™, ≥98%
Biochemische und physiologische Mechanismen
Potent MTH1 inhibitor (IC50= 72 nM). Induces DNA damage and disrupts nucleotide pool homeostasis in cancer cells. Also attenuates colony formation of KRAS-mutated PANC1 cellsin vitro. Suppresses tumor growth ~50% in a colon cancer carcinoma xenograft mode
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid488201740
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488201740
Kanonisches LächelnCC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N
IUPAC Name3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
InChIKeyKTEIFNKAUNYNJU-LBPRGKRZSA-N
INCHI1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1
Isomere SMILES C[C@@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N
Molekulargewicht 450.34
Reaxy-Rn 12134721
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12134721&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlassePyridines and derivatives
SubclassPyrazolylpyridines
Intermediate Tree Nodes Not available
Direct ParentPyrazolylpyridines
Alternative Parents Dichlorobenzenes  Alkyl aryl ethers  Aminopyridines and derivatives  Fluorobenzenes  Piperidines  Aryl chlorides  Aryl fluorides  Imidolactams  Pyrazoles  Heteroaromatic compounds  Azacyclic compounds  Dialkylamines  Primary amines  Organochlorides  Organofluorides  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 3-pyrazolylpyridine - 1,3-dichlorobenzene - Alkyl aryl ether - Aminopyridine - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - Monocyclic benzene moiety - Piperidine - Pyrazole - Azole - Heteroaromatic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
External Descriptors 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
NUDT1 Tchem 7,8-dihydro-8-oxoguanine triphosphatase (7 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MET Tclin Hepatocyte growth factor receptor (10718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IMR-32 (1082 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H358 (882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW480 (6023 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALK Tclin ALK tyrosine kinase receptor (7132 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAP4K3 Tchem Mitogen-activated protein kinase kinase kinase kinase 3 (674 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NUDT1 Tchem 7,8-dihydro-8-oxoguanine triphosphatase (280 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

25 results found

Lot NumberCertificate TypeDatumArtikel
D2314372Certificate of AnalysisJan 21, 2026 S288194
D2314371Certificate of AnalysisJan 21, 2026 S288194
D23131020Certificate of AnalysisJan 21, 2026 S288194
D23131021Certificate of AnalysisJan 21, 2026 S288194
D2314015Certificate of AnalysisJan 21, 2026 S288194
D2314359Certificate of AnalysisJan 21, 2026 S288194
D2314360Certificate of AnalysisJan 21, 2026 S288194
D2314361Certificate of AnalysisJan 21, 2026 S288194
D2314368Certificate of AnalysisJan 21, 2026 S288194
D2314366Certificate of AnalysisJan 21, 2026 S288194
D2314367Certificate of AnalysisJan 21, 2026 S288194
C2405644Certificate of AnalysisJan 24, 2024 S288194
F2513129Certificate of AnalysisJan 24, 2024 S288194
C2405646Certificate of AnalysisJan 24, 2024 S288194
C2405645Certificate of AnalysisJan 24, 2024 S288194
C2405643Certificate of AnalysisJan 24, 2024 S288194
D2314362Certificate of AnalysisMar 06, 2023 S288194
K2216737Certificate of AnalysisAug 22, 2022 S288194
K2216739Certificate of AnalysisAug 22, 2022 S288194
K2216793Certificate of AnalysisAug 22, 2022 S288194
K2216796Certificate of AnalysisAug 22, 2022 S288194
K2216797Certificate of AnalysisAug 22, 2022 S288194
K2216798Certificate of AnalysisAug 22, 2022 S288194
K2216799Certificate of AnalysisAug 22, 2022 S288194
K2216801Certificate of AnalysisAug 22, 2022 S288194

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Chemische und physikalische Eigenschaften
LöslichkeitSolvent:DMSO, Max Conc. mg/mL: 22.52, Max Conc. mM: 50; Solvent:1eq. HCl, Max Conc. mg/mL: 9.01, Max Conc. mM: 20 with gentle warming
Molekulargewicht450.300 g/mol
XLogP33.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass449.119 Da
Monoisotopic Mass449.119 Da
Topological Polar Surface Area78.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity557.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referenzen
1. Hui Huang, Zebin Xiao, Wei Feng, Xinran Song, Liang Chen, Lili Huang, Li Ding, Yu Chen.  (2025)  Biomimetic nanoimmunotherapy boosts spatiotemporal PANoptosis and reshapes desmoplastic tumor microenvironment.  Cell Reports Medicine,      [PMID:40845841] [10.1016/j.xcrm.2025.102312]
Lösungsrechner
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