2-Amino-3-Formylchromone - CAS 61424-76-8

Name: 2-Amino-3-Formylchromone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031100
Product Name:	2-Amino-3-Formylchromone
CAS:	61424-76-8
Synonyms:	2-amino-4-oxochromene-3-carbaldehyde

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Computed Properties

IUPAC Name:	2-amino-4-oxochromene-3-carbaldehyde
Description:	2-Amino-3-formylchromone (CAS# 61424-76-8) is a formylchromone derivative with antimicrobial activity. A protein tyrosine phosphatase 1B inhibitor.
Molecular Weight:	189.17
Molecular Formula:	C10H7NO3
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)C(=C(O2)N)C=O
InChI:	InChI=1S/C10H7NO3/c11-10-7(5-12)9(13)6-3-1-2-4-8(6)14-10/h1-5H,11H2
InChI Key:	TVGIYZVZBKAJRR-UHFFFAOYSA-N
Boiling Point:	401.2 °C at 760 mmHg
Melting Point:	249 °C (dec.)(lit.)
Purity:	95 %
Density:	1.486 g/cm³
Appearance:	Pale yellow powder
MDL:	MFCD00191735
LogP:	1.76890

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111320818-A	Anti-aging plastic rope	20200424
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2008134474-A2	Compositions and methods including cell death inducers and procaspase activation	20070427
US-2009075995-A1	MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF	20060809

PMID	Publication Date	Title	Journal
21459607	20110503	Synthesis of new chiral heterocyclic Schiff base modulated Cu(II)/Zn(II) complexes: their comparative binding studies with CT-DNA, mononucleotides and cleavage activity	Journal of photochemistry and photobiology. B, Biology
12852966	20030804	Formylchromone derivatives as a novel class of protein tyrosine phosphatase 1B inhibitors	Bioorganic & medicinal chemistry letters

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.042593085
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3