ethyl 2,4-dioxo-4-(2-pyridinyl)butanoate - CAS 92288-93-2

Name: ethyl 2,4-dioxo-4-(2-pyridinyl)butanoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040474
Product Name:	ethyl 2,4-dioxo-4-(2-pyridinyl)butanoate
CAS:	92288-93-2
Synonyms:	2,4-dioxo-4-(2-pyridinyl)butanoic acid ethyl ester; ethyl 2,4-dioxo-4-pyridin-2-ylbutanoate

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Computed Properties

IUPAC Name:	ethyl 2,4-dioxo-4-pyridin-2-ylbutanoate
Description:	ethyl 2,4-dioxo-4-(2-pyridinyl)butanoate (CAS# 92288-93-2) is a useful research chemical.
Molecular Weight:	221.21
Molecular Formula:	C11H11NO4
Canonical SMILES:	CCOC(=O)C(=O)CC(=O)C1=CC=CC=N1
InChI:	InChI=1S/C11H11NO4/c1-2-16-11(15)10(14)7-9(13)8-5-3-4-6-12-8/h3-6H,2,7H2,1H3
InChI Key:	FBIPIHMTJUPZJB-UHFFFAOYSA-N
Boiling Point:	359.147 °C at 760 mmHg
Density:	1.223 g/cm³
MDL:	MFCD08056636
LogP:	0.78660

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Publication Number	Title	Priority Date
US-2019367497-A1	Atf6 inhibitors and uses thereof	20180406
WO-2019195810-A2	Atf6 inhibitors and uses thereof	20180406
AU-2019247533-A1	ATF6 inhibitors and uses thereof	20180406
US-10829485-B2	ATF6 inhibitors and uses thereof	20180406
BR-112020020181-A2	ATF6 INHIBITORS AND USES OF THE SAME	20180406

PMID	Publication Date	Title	Journal
19327456	20090413	Polyphosphate-doped polypyrrole coated on steel fiber for the solid-phase microextraction of organochlorine pesticides in water	Analytica chimica acta
15642640	20050126	Estradiol and endocrine disrupting compounds adversely affect development of sea urchin embryos at environmentally relevant concentrations	Aquatic toxicology (Amsterdam, Netherlands)
12203953	20020101	Determination of chiral ratio of o,p-DDT and o,p-DDD pesticides on polysaccharides chiral stationary phases by HPLC under reversed-phase mode	Environmental toxicology
11522375	20010828	Primary culture system of adrenocortical cells from dogs to evaluate direct effects of chemicals on steroidogenesis	Toxicology
10036216	19990215	Phenobarbital induction of CYP2B1/2 in primary hepatocytes: endocrine regulation and evidence for a single pathway for multiple inducers	Toxicology and applied pharmacology

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.06880783
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.06880783
Rotatable Bond Count:	6
Topological Polar Surface Area:	73.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1