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Agn 194310

CAS No.:
229961-45-9
Catalog Number:
AG00BF20
Molecular Formula:
C28H24O2S
Molecular Weight:
424.5540
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$307
- +
5mg
98%
1 week
United States
$973
- +
10mg
98%
1 week
United States
$1473
- +
25mg
98%
1 week
United States
$2473
- +
50mg
98%
1 week
United States
$3807
- +
Product Description
Catalog Number:
AG00BF20
Chemical Name:
Agn 194310
CAS Number:
229961-45-9
Molecular Formula:
C28H24O2S
Molecular Weight:
424.5540
MDL Number:
MFCD28167793
IUPAC Name:
4-[2-[4-(4-ethylphenyl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoic acid
InChI:
InChI=1S/C28H24O2S/c1-4-19-7-12-22(13-8-19)25-18-28(2,3)31-26-16-11-21(17-24(25)26)6-5-20-9-14-23(15-10-20)27(29)30/h7-18H,4H2,1-3H3,(H,29,30)
InChI Key:
LHUPKWKWYWOMSK-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C1=CC(C)(C)Sc2c1cc(C#Cc1ccc(cc1)C(=O)O)cc2
Properties
Complexity:
738  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.15g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
424.558g/mol
Monoisotopic Mass:
424.15g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9  
Literature
Title Journal
N-(4-hydroxyphenyl)retinamide induces apoptosis in human retinal pigment epithelial cells: retinoic acid receptors regulate apoptosis, reactive oxygen species generation, and the expression of heme oxygenase-1 and Gadd153. Journal of cellular physiology 20061201
Retinoid-mediated stimulation of steroid sulfatase activity in myeloid leukemic cell lines requires RARalpha and RXR and involves the phosphoinositide 3-kinase and ERK-MAP kinase pathways. Journal of cellular biochemistry 20060201
An antagonist of retinoic acid receptors more effectively inhibits growth of human prostate cancer cells than normal prostate epithelium. British journal of cancer 20040802
Vitamin A status significantly alters nuclear factor-kappaB activity assessed by in vivo imaging. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 20040801
Retinoic acid receptor antagonist inhibits CD38 antigen expression on human hematopoietic cells in vitro. Leukemia & lymphoma 20040501
Retinoic acid receptor antagonism in vivo expands the numbers of precursor cells during granulopoiesis. Leukemia 20020901
Antagonists of retinoic acid receptors (RARs) are potent growth inhibitors of prostate carcinoma cells. British journal of cancer 20010801
Properties