1-(6-Cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'H)-quinazoline]-4'-amine , CAS No.C669026

CAS: C669026 Cat. No.: C669026 Peso molecular: 382.4 PubChem CID: 9886249
Disponible para pedir
Synonyms
AR-C102222 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | 5-(4'-Amino-5',8'-difluoro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carbonyl)picolinonitrile | 5-(4-Amino-5,8-difluorospiro[1H-quinazoline-2,4'-pip
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
C669026-1mg
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
C669026-5mg
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.

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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
AR-C102222 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5', 8'-DIFLUOROSPIRO[PIPERIDINE-4, 2'(1'H)-QUINAZOLINE]-4'-AMINE | 5-(4'-Amino-5', 8'-difluoro-1'H-spiro[piperidine-4, 2'-quinazoline]-1-carbonyl)picolinonitrile | 5-(4-Amino-5, 8-difluorospiro[1H-quinazoline-2, 4'-pip
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP1.2
Nombres e identificadores
Sonrisas canónicasC1CN(CCC12NC3=C(C=CC(=C3C(=N2)N)F)F)C(=O)C4=CN=C(C=C4)C#N
IUPAC Name5-(4-amino-5,8-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
InChIKeyGIZYIOOBBUHOBS-UHFFFAOYSA-N
INCHI1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
Isómeros SMILES C1CN(CCC12NC3=C(C=CC(=C3C(=N2)N)F)F)C(=O)C4=CN=C(C=C4)C#N
PubChem CID 9886249
Peso molecular 382.4

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
ClaseDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Quinazolines
Direct ParentQuinazolinamines
Alternative Parents Pyridinecarboxylic acids and derivatives  N-acylpiperidines  Secondary alkylarylamines  Aryl fluorides  Benzenoids  Imidolactams  Tertiary carboxylic acid amides  Heteroaromatic compounds  Amino acids and derivatives  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Carboxamidines  Carboximidamides  Nitriles  Organooxygen compounds  Organofluorides  Hydrocarbon derivatives  Organic oxides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinazolinamine - N-acyl-piperidine - Pyridine carboxylic acid or derivatives - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Piperidine - Imidolactam - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NOS2 Tchem Nitric oxide synthase, inducible (9 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NOS1 Tchem Nitric oxide synthase, brain (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NOS3 Tchem Nitric-oxide synthase, endothelial (1452 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DLD-1 (17511 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Nos2 Nitric oxide synthase, inducible (3573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 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 molecular382.400 g/mol
XLogP31.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass382.135 Da
Monoisotopic Mass382.135 Da
Topological Polar Surface Area107.000 Ų
Heavy Atom Count28
Formal Charge0
Complexity698.000
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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