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130370-60-4 | Butanediamide, N4-hydroxy-N1-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]-, (2R,3S)-
CAS No: 130370-60-4 Catalog No: AG000UC7 MDL No:MFCD00866533
Product Description
Catalog Number:
AG000UC7
Chemical Name:
Butanediamide, N4-hydroxy-N1-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]-, (2R,3S)-
CAS Number:
130370-60-4
Molecular Formula:
C23H31N3O4S2
Molecular Weight:
477.6399
MDL Number:
MFCD00866533
IUPAC Name:
(2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
InChI:
InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
InChI Key:
XFILPEOLDIKJHX-QYZOEREBSA-N
SMILES:
CNC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C(=O)NO)CSc1cccs1)CC(C)C)Cc1ccccc1
UNII:
BK349F52C9
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
477.176g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
477.638g/mol
Monoisotopic Mass:
477.176g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
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| Metalloprotease inhibitors block release of soluble CD27 and enhance the immune stimulatory activity of chronic lymphocytic leukemia cells. | Experimental hematology 20070301 |
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| Role of epidermal growth factor receptor transactivation in alpha1B-adrenoceptor phosphorylation. | European journal of pharmacology 20060807 |
| Neuregulin isoforms in dorsal root ganglion neurons: effects of the cytoplasmic domain on localization and membrane shedding of Nrg-1 type I. | Journal of neuroscience research 20060701 |
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| Chemically modified tetracyclines act through multiple mechanisms directly on osteoclast precursors. | Bone 20040801 |
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| Effect of metalloprotease inhibitors on corneal allograft survival. | Investigative ophthalmology & visual science 20040401 |
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| Comparison of expression of cathepsins B and L and MMP2 in endothelial cells and in capillary sprouting in collagen gel. | The International journal of biological markers 20040101 |
| Drug loading and elution from a phosphorylcholine polymer-coated coronary stent does not affect long-term stability of the coating in vivo. | Bio-medical materials and engineering 20040101 |
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| A matrix metalloproteinase inhibitor, batimastat, retards the development of osteolytic bone metastases by MDA-MB-231 human breast cancer cells in Balb C nu/nu mice. | European journal of cancer (Oxford, England : 1990) 20010101 |
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| An ex vivo angiogenesis assay utilizing commercial porcine carotid artery: modification of the rat aortic ring assay. | Angiogenesis 20010101 |
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