4-((3,4-(Methylenedioxy)benzyl)amino)-6,7,8-trimethoxyquinazoline , CAS No.150450-00-3

CAS: 150450-00-3 Cat. No.: M668146 Peso molecular: 369.4 PubChem CID: 205964
Disponible para pedir
Synonyms
4-((3,4-(Methylenedioxy)benzyl)amino)-6,7,8-trimethoxyquinazoline | N-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxyquinazolin-4-amine | N-(Benzo[d][1,3]dioxol-5-ylmethyl)-6,7,8-trimethoxyquinazolin-4-amine | 4-CH2BzN-3MeOQ | N-(1,3-Benzodioxol-5-ylmethyl)
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
M668146-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
M668146-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Sinónimos
4-((3, 4-(Methylenedioxy)benzyl)amino)-6, 7, 8-trimethoxyquinazoline | N-(1, 3-benzodioxol-5-ylmethyl)-6, 7, 8-trimethoxyquinazolin-4-amine | N-(Benzo[d][1, 3]dioxol-5-ylmethyl)-6, 7, 8-trimethoxyquinazolin-4-amine | 4-CH2BzN-3MeOQ | N-(1, 3-Benzodioxol-5-ylmethyl)
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP3.1
Nombres e identificadores
Sonrisas canónicasCOC1=C(C(=C2C(=C1)C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)OC)OC
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxyquinazolin-4-amine
InChIKeyOTQULNJSJQEICR-UHFFFAOYSA-N
INCHI1S/C19H19N3O5/c1-23-15-7-12-16(18(25-3)17(15)24-2)21-9-22-19(12)20-8-11-4-5-13-14(6-11)27-10-26-13/h4-7,9H,8,10H2,1-3H3,(H,20,21,22)
Isómeros SMILES COC1=C(C(=C2C(=C1)C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)OC)OC
PubChem CID 205964
Peso molecular 369.4

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Quinazolines
Direct ParentQuinazolinamines
Alternative Parents Benzodioxoles  Anisoles  Secondary alkylarylamines  Aminopyrimidines and derivatives  Alkyl aryl ethers  Imidolactams  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Acetals  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinazolinamine - Benzodioxole - Anisole - Alkyl aryl ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Acetal - Ether - Oxacycle - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PDE5A Tclin cGMP-specific 3',5'-cyclic phosphodiesterase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PDE5A Tclin Phosphodiesterase 5A (5113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE4A Tclin Phosphodiesterase 4A (1943 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
PDE2A Phosphodiesterase 2A (77 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sus scrofa (849 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular369.400 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass369.132 Da
Monoisotopic Mass369.132 Da
Topological Polar Surface Area84.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity484.000
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 soluciones
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