WAY-310445 - 10mM in DMSO , CAS No.7499-93-6

CAS: 7499-93-6 Cat. No.: W425826 Formule: C16H19N5O2 Poids moléculaire: 313.35 PubChem CID: 343657
DISPONIBLE À COMMANDE
GRADE & PURITY 10mM in DMSO
Synonyms
7499-93-6|CHEMBL1927677|1,3,7-Trimethyl-8-(phenethylamino)-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethyl-8-[(2-phenylethyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|NSC400066|CBMicro_046949|ChemDiv2_003836|Oprea1_060015|1,3,7-trimethyl-8-(2-phenylet
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Allemagne (EU)
USA*
Price
Qty
1ml
W425826-1ml
Sur commande · 8–12 semaines

178,67€

209,91€
Enregistrer 31,24 € (14.88%)
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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.

Vue d’ensemble

MAO inhibitor

Specifications

Synonymes
7499-93-6 | CHEMBL1927677 | 1,3,7-Trimethyl-8-(phenethylamino)-3,7-dihydro-1H-purine-2,6-dione | 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione | NSC400066 | CBMicro_046949 | ChemDiv2_003836 | Oprea1_060015 | 1,3,7-trimethyl-8-(2-phenylet
Spécifications et pureté
10mM in DMSO
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Propriétés du produit
ALogP
2.155
Nombre de HBD
1
Liaison rotative
4
Noms et identifiants
Sourires canoniques
CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C
IUPAC Name
1,3,7-trimethyl-8-(2-phenylethylamino)purine-2,6-dione
InChIKey
PDMRCZKKXHBCCP-UHFFFAOYSA-N
INCHI
1S/C16H19N5O2/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)17-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,18)
Isomères SMILES
CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C
PubChem CID
343657
Poids moléculaire
313.35

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  Pyrimidones  N-substituted imidazoles  Benzene and substituted derivatives  Aminoimidazoles  Vinylogous amides  Heteroaromatic compounds  Ureas  Lactams  Azacyclic compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  Amines  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidazole - Azole - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
DMSO (mM) Solubilité maximale10
Poids moléculaire313.350 g/mol
XLogP31.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass313.154 Da
Monoisotopic Mass313.154 Da
Topological Polar Surface Area70.500 Ų
Heavy Atom Count23
Formal Charge0
Complexity465.000
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
Calculateurs de solution
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