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329932-55-0 molecular structure
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2-(4-methylphenyl)-2-oxoethyl 3-(2,4-dinitrobenzamido)benzoate

ChemBase ID: 154723
Molecular Formular: C23H17N3O8
Molecular Mass: 463.39638
Monoisotopic Mass: 463.10156452
SMILES and InChIs

SMILES:
Cc1ccc(cc1)C(=O)COC(=O)c1cccc(c1)NC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES:
Cc1ccc(cc1)C(=O)COC(=O)c1cccc(c1)NC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/C23H17N3O8/c1-14-5-7-15(8-6-14)21(27)13-34-23(29)16-3-2-4-17(11-16)24-22(28)19-10-9-18(25(30)31)12-20(19)26(32)33/h2-12H,13H2,1H3,(H,24,28)
InChIKey:
XVUOIWIIQVGWAJ-UHFFFAOYSA-N

Cite this record

CBID:154723 http://www.chembase.cn/molecule-154723.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methylphenyl)-2-oxoethyl 3-(2,4-dinitrobenzamido)benzoate
IUPAC Traditional name
2-(4-methylphenyl)-2-oxoethyl 3-(2,4-dinitrobenzamido)benzoate
Synonyms
[2-oxo-2-(p-tolyl)ethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate
3-[(2,4-Dinitrobenzoyl)amino]-benzoic acid 2-(4-methylphenyl)-2-oxoethyl ester
FM19G11
CAS Number
329932-55-0
MDL Number
MFCD01174289
PubChem SID
162248861
PubChem CID
1730746

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
F8807 external link Add to cart Please log in.
Data Source Data ID
PubChem 1730746 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.904319  H Acceptors
H Donor LogD (pH = 5.5) 4.694057 
LogD (pH = 7.4) 4.6815076  Log P 4.6942196 
Molar Refractivity 123.2091 cm3 Polarizability 44.460407 Å3
Polar Surface Area 164.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: ≥40 mg/mL expand Show data source
Apperance
off-white to light brown powder expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C23H17N3O8 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - F8807 external link
Biochem/physiol Actions
FM19G11 is an inhibitor of Hypoxia Inducible Factors α (HIFα), reported to affect self-renewal and differentiation of stem cells. Hypoxia-inducible factors (HIFs) are transcription factors that respond to changes in available oxygen in the cellular environment. Among other functions (like angiogenesis), HIFα proteins affect the self-renewal and the differentiation processes of stem cells. FM19G11 inhibits the HIFα proteins that repress the target genes of the two α subunits, in various tumor cell lines as well as in adult and embryonic stem cell (ESC) models.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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