Catalog No.:AA00E6ON

475576-83-1 | 2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4h-chromene-3-carbonitrile

Name: Name:2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4h-chromene-3-carbonitrile
Brand: AABLOCKS
SKU: AA00E6ON
Rating: 90 (10 reviews)

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Download SDS

Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00E6ON

Chemical Name:

2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4h-chromene-3-carbonitrile

CAS Number:

475576-83-1

Molecular Formula:

C18H17BrN4O3

Molecular Weight:

417.2566

MDL Number:

MFCD24038951

SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)OC

Properties

Computed Properties

Complexity:

607

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

2.6

Downstream Synthesis Route

59649-56-8

6948-30-7

109-77-3

475576-83-1

[1]EuropeanJournalofMedicinalChemistry,2018,vol.157,p.380-396

[2]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.4745-4751

59649-56-8

109-77-3

475576-83-1

[1]Patent:WO2008/5572,2008,A2.Locationinpatent:Page/Pagecolumn35

Literature

Title: Discovery of 4-aryl-4H-chromenes as a new series of apoptosis inducers using a cell- and caspase-based high-throughput screening assay. 3. Structure-activity relationships of fused rings at the 7,8-positions.

Journal: Journal of medicinal chemistry 20070614

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SDS