selatinib - Moligand™ , Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2, CAS No.1275595-86-2, Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2

CAS: 1275595-86-2 Cat. No.: S613520 PubChem CID: 51348455
주문 가능
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.
Synonyms
HY-116437 | Z2235824128 | GTPL9919 | UNII-6TLR8U8O3C | AT24534 | Selatinib | 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfinyl)ethyl)amino)methyl)-2-furanyl)- | GLXC-15036 | US8916574, Compound 2 | MS-30239 | Q272
Storage
Room temperature
★
Size
USA
독일 (EU)*
Price
Qty
5mg
S613520-5mg
주문제작 · 8~12주
US$700.90
25mg
S613520-25mg
주문제작 · 8~12주

US$1,714.90

US$2,000.90
저장 US$286.00 (14.29%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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.

Specifications

동의어
HY-116437 | Z2235824128 | GTPL9919 | UNII-6TLR8U8O3C | AT24534 | Selatinib | 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfinyl)ethyl)amino)methyl)-2-furanyl)- | GLXC-15036 | US8916574, Compound 2 | MS-30239 | Q272
사양 및 순도
Moligand™
보관 조건
Room temperature
등급
Moligand™
작업 유형
INHIBITOR
작동 메커니즘
Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2
이름과 식별자
정식 스마일CS(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]quinazolin-4-amine
InChIKeyOAMVGUFHZPRXOM-UHFFFAOYSA-N
INCHI1S/C29H26ClFN4O3S/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
이성체 SMILES CS(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
대체 CAS 1275595-86-2
PubChem CID 51348455
MeSH 용어 6-(5-((2-(methylsulfinyl)ethylamino)methyl)furan-2-yl)-N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-4-quinazolinamine;selatinib

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
분류Diazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Quinazolines
Direct ParentQuinazolinamines
Alternative Parents Phenoxy compounds  Phenol ethers  Aniline and substituted anilines  Alkyl aryl ethers  Aminopyrimidines and derivatives  Aralkylamines  Chlorobenzenes  Fluorobenzenes  Aryl chlorides  Aryl fluorides  Imidolactams  Heteroaromatic compounds  Furans  Sulfoxides  Dialkylamines  Azacyclic compounds  Oxacyclic compounds  Sulfinyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organofluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinazolinamine - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Halobenzene - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Chlorobenzene - Aralkylamine - Imidolactam - Benzenoid - Pyrimidine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Furan - Heteroaromatic compound - Sulfoxide - Oxacycle - Azacycle - Sulfinyl compound - Secondary aliphatic amine - Ether - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
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 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량565.100 g/mol
XLogP34.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass564.14 Da
Monoisotopic Mass564.14 Da
Topological Polar Surface Area108.000 Ų
Heavy Atom Count39
Formal Charge0
Complexity787.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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