WAY-300062 - 10mM in DMSO , CAS No.330990-68-6

CAS: 330990-68-6 Cat. No.: W423385 Fórmula: C16H16N4O2S Peso molecular: 328.38884 PubChem CID: 823118
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
330990-68-6|7-allyl-8-(benzylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|8-benzylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione|Oprea1_053803|Oprea1_589374|MLS001205069|CHEMBL1304875|DTXSID401320439|HMS2823K18|7-Allyl-8-benzylsulfanyl-3-methyl-3,7-dihydro-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemanha (EU)
USA*
Price
Qty
1ml
W423385-1ml
Sob encomenda · 8–12 semanas

178,67€

209,91€
Gravar 31,24 € (14.88%)
Enter a quantity for the sizes you want to add.
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Visão geral

Mycobacterium tuberculosis shikimate kinase inhibitors

Specifications

Sinónimos
330990-68-6 | 7-allyl-8-(benzylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione | 8-benzylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione | Oprea1_053803 | Oprea1_589374 | MLS001205069 | CHEMBL1304875 | DTXSID401320439 | HMS2823K18 | 7-Allyl-8-benzylsulfanyl-3-methyl-3,7-dihydro-
Especificações e pureza
10mM in DMSO
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Propriedades do produto
ALogP
2.977
Contagem HBD
1
Ligação rotativa
5
Nomes e identificadores
Sorrisos canónicos
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC=C
IUPAC Name
8-benzylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione
InChIKey
JVDFMDMDVXFQIR-UHFFFAOYSA-N
INCHI
1S/C16H16N4O2S/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/h3-8H,1,9-10H2,2H3,(H,18,21,22)
SMILES isoméricas
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC=C
PubChem CID
823118
Peso molecular
328.38884

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
ClasseImidazopyrimidines
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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
DMSO (mM) Solubilidade máxima10
Peso molecular328.400 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass328.099 Da
Monoisotopic Mass328.099 Da
Topological Polar Surface Area92.500 Ų
Heavy Atom Count23
Formal Charge0
Complexity481.000
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
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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