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285986-88-1 | Benzamide, N-[2-[(4-chlorophenyl)amino]-1-methyl-2-oxoethoxy]-3,5-bis(trifluoromethyl)-
CAS No: 285986-88-1 Catalog No: AG002VT2 MDL No:MFCD01566719
Product Description
Catalog Number:
AG002VT2
Chemical Name:
Benzamide, N-[2-[(4-chlorophenyl)amino]-1-methyl-2-oxoethoxy]-3,5-bis(trifluoromethyl)-
CAS Number:
285986-88-1
Molecular Formula:
C18H13ClF6N2O3
Molecular Weight:
454.7508
MDL Number:
MFCD01566719
IUPAC Name:
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-3,5-bis(trifluoromethyl)benzamide
InChI:
InChI=1S/C18H13ClF6N2O3/c1-9(15(28)26-14-4-2-13(19)3-5-14)30-27-16(29)10-6-11(17(20,21)22)8-12(7-10)18(23,24)25/h2-9H,1H3,(H,26,28)(H,27,29)
InChI Key:
DSMXVSGJIDFLKP-UHFFFAOYSA-N
SMILES:
O=C(C(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)Nc1ccc(cc1)Cl
NSC Number:
742825
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.052g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
454.753g/mol
Monoisotopic Mass:
454.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Targeting the myofibroblast genetic switch: inhibitors of myocardin-related transcription factor/serum response factor-regulated gene transcription prevent fibrosis in a murine model of skin injury. | The Journal of pharmacology and experimental therapeutics 20140601 |
| Redox modification of nuclear actin by MICAL-2 regulates SRF signaling. | Cell 20140130 |
| Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents. | Bioorganic & medicinal chemistry letters 20130701 |
| Increased SRF transcriptional activity in human and mouse skeletal muscle is a signature of insulin resistance. | The Journal of clinical investigation 20110301 |
| Combination of small molecules enhances differentiation of mouse embryonic stem cells into intermediate mesoderm through BMP7-positive cells. | Biochemical and biophysical research communications 20100319 |
| Design, synthesis and prostate cancer cell-based studies of analogs of the Rho/MKL1 transcriptional pathway inhibitor, CCG-1423. | Bioorganic & medicinal chemistry letters 20100115 |
| Signaling through Rho GTPase pathway as viable drug target. | Current medicinal chemistry 20090101 |
| CCG-1423: a small-molecule inhibitor of RhoA transcriptional signaling. | Molecular cancer therapeutics 20070801 |
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