Quazinone (Ro 13-6438) , CAS No.70018-51-8

CAS: 70018-51-8 Cat. No.: Q336048 Peso molecular: 235.67 PubChem CID: 135418296
Disponible para pedir
Synonyms
Quazinona | Ro 13-6438; Ro 13-6438/006 | (3R)-6-chloro-3-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one | QUAZINONE [USAN] | Q7269633 | QUAZINONE [INN] | (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one | DT-0021 | Tox21_111263
Storage
Room temperature
Shipped In
Normal
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Size
Estado
Price
Qty
10mg
Q336048-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
118,90US$
50mg
Q336048-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
457,90US$
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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.

Descripción general

Quazinone (Ro 13-6438) is a selective phosphodiesterase (PDE) inhibitor, and a novel cardiotonic agent with vasodilating properties. It has been reported to inhibit myocardial PDE activity and elevate levels of intracellular cyclic AMP (cAMP), causing a positive inotropic response in isolated guina pig papillary muscle. It has been shown to increase the upstroke velocity, overshoot, and duration of slow action potentials in a concentration-dependent fashion in partially depolarized papillary muscles.

Specifications

Sinónimos
Quazinona | Ro 13-6438; Ro 13-6438/006 | (3R)-6-chloro-3-methyl-5, 10-dihydro-3H-imidazo[2, 1-b]quinazolin-2-one | QUAZINONE [USAN] | Q7269633 | QUAZINONE [INN] | (3R)-6-chloro-3-methyl-3, 5-dihydro-1H-imidazo[2, 1-b]quinazolin-2-one | DT-0021 | Tox21_111263
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Propiedades del producto
pKapKa: 12.38 (Predicted), pKa: 0.84 (Predicted)
Nombres e identificadores
Sonrisas canónicasCC1C(=O)NC2=NC3=C(CN12)C(=CC=C3)Cl
IUPAC Name(3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
InChIKeyBHZFZYLBVSWUMT-ZCFIWIBFSA-N
INCHI1S/C11H10ClN3O/c1-6-10(16)14-11-13-9-4-2-3-8(12)7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)/t6-/m1/s1
Isómeros SMILES C[C@@H]1C(=O)NC2=NC3=C(CN12)C(=CC=C3)Cl
WGK Alemania 3
PubChem CID 135418296
Peso molecular 235.67

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
ClaseDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Not available
Direct ParentQuinazolines
Alternative Parents Alpha amino acids and derivatives  Imidazolinones  Benzenoids  Aryl chlorides  N-acylimines  Guanidines  Propargyl-type 1,3-dipolar organic compounds  Carboximidamides  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alpha-amino acid or derivatives - Quinazoline - Aryl chloride - Aryl halide - Imidazolinone - Benzenoid - 2-imidazoline - Guanidine - N-acylimine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 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
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE3A Tclin Phosphodiesterase 3 (1749 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE4A Tclin Phosphodiesterase; PDE3 & PDE4 (301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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
SolubilidadSoluble in DMSO (3 mg/ml), ethanol (1 mg/ml), and water (5 mg/ml).
Índice de refracciónn20D1.75 (Predicted)
Punto de ebullición (°C)345.57° C at 760 mmHg (Predicted)
Punto de fusión (°C)189.32° C (Predicted)
Peso molecular235.670 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass235.051 Da
Monoisotopic Mass235.051 Da
Topological Polar Surface Area44.700 Ų
Heavy Atom Count16
Formal Charge0
Complexity357.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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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