4-[1-Chloro-2-(methylamino)ethyl]phenyl Acetate Hydrochloride - CAS 14593-25-0

Name: 4-[1-Chloro-2-(methylamino)ethyl]phenyl Acetate Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010021
Product Name:	4-[1-Chloro-2-(methylamino)ethyl]phenyl Acetate Hydrochloride
CAS:	14593-25-0
Synonyms:	acetic acid [4-[1-chloro-2-(methylamino)ethyl]phenyl] ester;hydrochloride; [4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate;hydrochloride

Technical Data

IUPAC Name:	[4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate;hydrochloride
Description:	CpdA is a non-steroidal selective glucocorticoid receptor modulator. It can inhibit the dimerization of glucocorticoid receptor, which prevents transcription of gene targets such as NF-κB and subsequent cytokines through transrepression.
Molecular Weight:	264.15
Molecular Formula:	C11H15Cl2NO2
Canonical SMILES:	CC(=O)OC1=CC=C(C=C1)C(CNC)Cl.Cl
InChI:	InChI=1S/C11H14ClNO2.ClH/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2;/h3-6,11,13H,7H2,1-2H3;1H
InChI Key:	WKMYTPCPAWZWII-UHFFFAOYSA-N
Boiling Point:	324.6 °C at 760 mmHg
Purity:	≥ 98 %
Appearance:	Crystalline solid
LogP:	3.30410

Publication Number	Title	Priority Date
KR-20200087527-A	Composition for improving skin condition comprising a compound A as an active ingredient	20190111
EP-3639855-A1	Compounds having caspase inhibitory activity, pharmaceutical agent containing said compounds and for treating or preventing corneal endothelial symptoms, disorders, or diseases, and application of said pharmaceutical agent	20170616
JP-WO2018230713-A1	Compounds having caspase inhibitory activity, pharmaceuticals containing these compounds for treating or preventing symptoms, disorders or diseases of corneal endothelium and applications thereof	20170616
US-2020121652-A1	Compounds having caspase inhibitory activity, pharmaceutical agent containing said compounds and for treating or preventing corneal endothelial symptoms, disorders, or diseases, and application of said pharmaceutical agent	20170616
US-2016332971-A1	Arylquinoline, arylquinolone and arylthioquinolone derivatives and use thereof to treat cancer	20150515

PMID	Publication Date	Title	Journal
22117551	20111101	Antitumor effect of non-steroid glucocorticoid receptor ligand CpdA on leukemia cell lines CEM and K562	Biochemistry. Biokhimiia
12766951	20030601	Biological activities of the shrub Salsola tuberculatiformis Botsch.: contraceptive or stress alleviator?	BioEssays : news and reviews in molecular, cellular and developmental biology

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.0479841
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	263.0479841
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0