WAY-301544 - ≥98% , CAS No.189149-65-3

CAS: 189149-65-3 Cat. No.: W416865 Summenformel: C16H18N4O2S Molekulargewicht: 330.4 PubChem CID: 561960
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GRADE & PURITY ≥98%
Synonyms
8-(benzylthio)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione | 8-Benzylsulfanyl-3-methyl-7-propyl-3,7-dihydro-purine-2,6-dione | 8-(Benzylsulfanyl)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
★
Size
Deutschland (EU)
USA*
Price
Qty
5mg
W416865-5mg
Auf Bestellung · 8–12 Wochen

421,63€

495,39€
Speichern 73,76 € (14.89%)
10mg
W416865-10mg
Auf Bestellung · 8–12 Wochen
807,78€
25mg
W416865-25mg
Auf Bestellung · 8–12 Wochen
1.302,39€
100mg
W416865-100mg
Auf Bestellung · 8–12 Wochen
2.864,32€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Store at -20°C,Argon charged 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

LSD1 inhibitor (antitumor); altering the lifespan of a eukaryotic organism;

Specifications

Synonyme
8-(benzylthio)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione | 8-Benzylsulfanyl-3-methyl-7-propyl-3,7-dihydro-purine-2,6-dione | 8-(Benzylsulfanyl)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Spezifikationen & Reinheit
≥98%
Storage
Store at -20°C,Argon charged
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Reinheit
≥98%
Namen und Kennungen
Kanonisches LächelnCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C
IUPAC Name8-benzylsulfanyl-3-methyl-7-propylpurine-2,6-dione
InChIKeyBWWWSRCFYCOWKP-UHFFFAOYSA-N
INCHI1S/C16H18N4O2S/c1-3-9-20-12-13(19(2)15(22)18-14(12)21)17-16(20)23-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,18,21,22)
Isomere SMILES CCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C
PubChem CID 561960
Molekulargewicht 330.4

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
KlasseImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Not available
Direct ParentXanthines
Alternative Parents 6-oxopurines  Alkaloids and derivatives  Alkylarylthioethers  Pyrimidones  Benzene and substituted derivatives  N-substituted imidazoles  Heteroaromatic compounds  Vinylogous amides  Ureas  Lactams  Azacyclic compounds  Sulfenyl compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Organooxygen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Lactam - Urea - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





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Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht330.400 g/mol
XLogP32.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass330.115 Da
Monoisotopic Mass330.115 Da
Topological Polar Surface Area92.500 Ų
Heavy Atom Count23
Formal Charge0
Complexity455.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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