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260264-93-5 | Benzenepentanamide, N-[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-α-[(1S)-1-(formylhydroxyamino)ethyl]-, (αR)-
CAS No: 260264-93-5 Catalog No: AG002RES MDL No:MFCD19381832
Product Description
Catalog Number:
AG002RES
Chemical Name:
Benzenepentanamide, N-[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-α-[(1S)-1-(formylhydroxyamino)ethyl]-, (αR)-
CAS Number:
260264-93-5
Molecular Formula:
C21H33N3O4
Molecular Weight:
391.5044
MDL Number:
MFCD19381832
IUPAC Name:
(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamide
InChI:
InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
InChI Key:
GHVMTHKJUAOZJP-CGTJXYLNSA-N
SMILES:
CNC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H]([C@@H](N(C=O)O)C)CCCc1ccccc1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
391.247g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
391.512g/mol
Monoisotopic Mass:
391.247g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| The xenoestrogens biphenol-A and nonylphenol differentially regulate metalloprotease-mediated shedding of EGFR ligands. | Journal of cellular physiology 20180301 |
| Suppression of tunicamycin-induced CD44v6 ectodomain shedding and apoptosis is correlated with temporal expression patterns of active ADAM10, MMP-9 and MMP-13 proteins in Caki-2 renal carcinoma cells. | Oncology reports 20121101 |
| Pathologic shear triggers shedding of vascular receptors: a novel mechanism for down-regulation of platelet glycoprotein VI in stenosed coronary vessels. | Blood 20120503 |
| Genetic requirement for ADAM10 in severe Staphylococcus aureus skin infection. | The Journal of investigative dermatology 20120501 |
| An evolutionary recent neuroepithelial cell adhesion function of huntingtin implicates ADAM10-Ncadherin. | Nature neuroscience 20120501 |
| Soluble CD23 controls IgE synthesis and homeostasis in human B cells. | Journal of immunology (Baltimore, Md. : 1950) 20120401 |
| Improved synthesis of ADAM10 inhibitor GI254023X. | Neuro-degenerative diseases 20100101 |
| In silico prediction of pregnane X receptor activators by machine learning approaches. | Molecular pharmacology 20070101 |
| Metalloproteinase inhibitors for the disintegrin-like metalloproteinases ADAM10 and ADAM17 that differentially block constitutive and phorbol ester-inducible shedding of cell surface molecules. | Combinatorial chemistry & high throughput screening 20050301 |
| The disintegrin-like metalloproteinase ADAM10 is involved in constitutive cleavage of CX3CL1 (fractalkine) and regulates CX3CL1-mediated cell-cell adhesion. | Blood 20030815 |
| CYP3A induction by N-hydroxyformamide tumor necrosis factor-alpha converting enzyme/matrix metalloproteinase inhibitors use of a pregname X receptor activation assay and primary hepatocyte culture for assessing induction potential in humans. | Drug metabolism and disposition: the biological fate of chemicals 20030701 |
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