pyrotinib - Moligand™, ≥98% , Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2, CAS No.1269662-73-8, Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2

CAS: 1269662-73-8 Cat. No.: P613029 Summenformel: C32H31ClN6O3 Molekulargewicht: 583.08 PubChem CID: 51039030
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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
SHR1258 | SHR-1258 | SCHEMBL9948753 | compound 12 [PMID: 28115222] | GTPL9662 | WZB08997 | (R,E)-N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-3-(1-methylpyrrolidin-2-yl)acrylamide | SADXACCFNXBCFY-IYNHSRRRSA-N | 4679
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Deutschland (EU)
USA*
Price
Qty
1mg
P613029-1mg
—
3 Auf Lager
277,59€
5mg
P613029-5mg
—
3 Auf Lager
635,10€
10mg
P613029-10mg
—
2 Auf Lager
1.206,94€
25mg
P613029-25mg
—
1 Auf Lager
2.776,68€
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.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

Pyrotinib (SHR-1258) is a potent and selective EGFR/HER2 dual inhibitor with IC50s of 13 and 38 nM, respectively.

Specifications

Synonyme
SHR1258 | SHR-1258 | SCHEMBL9948753 | compound 12 [PMID: 28115222] | GTPL9662 | WZB08997 | (R,E)-N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-3-(1-methylpyrrolidin-2-yl)acrylamide | SADXACCFNXBCFY-IYNHSRRRSA-N | 4679
Spezifikationen & Reinheit
Moligand™, ≥98%
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™
Aktionsart
INHIBITOR
Mechanismus der Wirkung
Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid528770735
Kanonisches LächelnCCOc1cc2ncc(c(c2cc1NC(=O)/C=C/[C@H]1CCCN1C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N
IUPAC Name(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide
InChIKeySADXACCFNXBCFY-IYNHSRRRSA-N
INCHI1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1
Isomere SMILES CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/[C@H]5CCCN5C
PubChem CID 51039030
Molekulargewicht 583.08

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseQuinolines and derivatives
SubclassAminoquinolines and derivatives
Intermediate Tree Nodes Not available
Direct Parent4-aminoquinolines
Alternative Parents Aminophenyl ethers  Aniline and substituted anilines  N-arylamides  Phenoxy compounds  Alkyl aryl ethers  Chlorobenzenes  Aminopyridines and derivatives  Aryl chlorides  N-alkylpyrrolidines  Primary aromatic amines  Heteroaromatic compounds  Amino acids and derivatives  Trialkylamines  Secondary carboxylic acid amides  Azacyclic compounds  Nitriles  Secondary amines  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 4-aminoquinoline - Aminophenyl ether - Phenoxy compound - Phenol ether - N-arylamide - Aniline or substituted anilines - Alkyl aryl ether - Aminopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Pyridine - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Cyanide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
ERBB2 Tclin Receptor tyrosine-protein kinase erbB-2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BT-474 (2113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-N87 (850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NUGC-4 (61 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-BR-3 (5175 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO-678 (114 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MFE-280 (151 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H441 (233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
BaF3 (4657 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.

8 results found

Lot NumberCertificate TypeDatumArtikel
B2402500Certificate of AnalysisJan 02, 2024 P613029
B2402536Certificate of AnalysisJan 02, 2024 P613029
B2402537Certificate of AnalysisJan 02, 2024 P613029
B2402542Certificate of AnalysisJan 02, 2024 P613029
B2402543Certificate of AnalysisJan 02, 2024 P613029
B2402544Certificate of AnalysisJan 02, 2024 P613029
B2402545Certificate of AnalysisJan 02, 2024 P613029
B2402546Certificate of AnalysisJan 02, 2024 P613029
Chemische und physikalische Eigenschaften
LöslichkeitDMSO : 0.172 mg/mL (0.29 mM)
Molekulargewicht583.100 g/mol
XLogP35.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass582.215 Da
Monoisotopic Mass582.215 Da
Topological Polar Surface Area112.000 Ų
Heavy Atom Count42
Formal Charge0
Complexity960.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Lösungsrechner
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