2-Chloro-5-nitrobenzanilide - CAS 22978-25-2

Name: 2-Chloro-5-nitrobenzanilide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017844
Product Name:	2-Chloro-5-nitrobenzanilide
CAS:	22978-25-2
Synonyms:	2-chloro-5-nitro-N-phenylbenzamide

Technical Data

IUPAC Name:	2-chloro-5-nitro-N-phenylbenzamide
Description:	GW9662 is a potent, irreversible and selective PPARgamma antagonist, which prevented activation of PPARgamma and inhibited growth of human mammary tumour cell lines. GW9662 may permit use of anti-ER strategies to inhibit breast cancer in ER- patients.
Molecular Weight:	276.68
Molecular Formula:	C13H9ClN2O3
Canonical SMILES:	C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI:	InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChI Key:	DNTSIBUQMRRYIU-UHFFFAOYSA-N
Boiling Point:	360.9 °C at 760 mmHg
Purity:	98 %
Density:	1.44 g/cm³
Solubility:	3.1 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Solid powder
MDL:	MFCD01215270
LogP:	4.09670

GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020247213-A1	Combination therapies that include an agent that promotes glucose oxidation and an inhibitor of pyruvate dehydrogenase kinase	20190603
WO-2020212597-A1	p16INK4a INHIBITOR FOR PREVENTING OR TREATING HUNTINGTON'S DISEASE	20190419
WO-2020039097-A1	2,6-bis(((1h-benzo[d]imidazol-2-yl)thio)methyl)pyridine and n2,n6-dibenzylpyridine-2,6-dicarboxamide derivatives and related compounds as phosphoinositide 3-kinase (pi3k) inhibitors for treating cancer	20180824
CN-113272294-A	2, 6-bis (((1H-benzo [ D ] imidazol-2-yl) thio) methyl) pyridine and N2, N6-dibenzylpyridine-2, 6-dicarboxamide derivatives and related compounds as phosphoinositide 3-kinase (PI3K) inhibitors for the treatment of cancer	20180824
EP-3841097-A1	2,6-bis(((1h-benzo[d]imidazol-2-yl)thio)methyl)pyridine and n2,n6-dibenzylpyridine-2,6-dicarboxamide derivatives and related compounds as phosphoinositide 3-kinase (pi3k) inhibitors for treating cancer	20180824

PMID	Publication Date	Title	Journal
34153405	20211010	PPARγ mediates the anti-pulmonary fibrosis effect of icaritin	Toxicology letters
33892503	20210716	Transcriptomic Changes and the Roles of Cannabinoid Receptors and PPARγ in Developmental Toxicities Following Exposure to Δ9-Tetrahydrocannabinol and Cannabidiol	Toxicological sciences : an official journal of the Society of Toxicology
34269108	20210716	CBD Promotes Oral Ulcer Healing via Inhibiting CMPK2-Mediated Inflammasome	Journal of dental research
33130971	20210201	Systems pharmacology approach uncovers Ligustilide attenuates experimental colitis in mice by inhibiting PPARγ-mediated inflammation pathways	Cell biology and toxicology
31812418	20200401	Adipogenic activity of 2-ethylhexyl diphenyl phosphate via peroxisome proliferator-activated receptor γ pathway	The Science of the total environment

Complexity:	339
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.0301698
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.0301698
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3