5-(4-Biphenylyl)-5-[4-(4-nitrophenyl)-1-piperazinyl]pyrimidine-2,4,6(1H,3H,5H)-trione - CAS 261956-22-3
Catalog: |
BB019190 |
Product Name: |
5-(4-Biphenylyl)-5-[4-(4-nitrophenyl)-1-piperazinyl]pyrimidine-2,4,6(1H,3H,5H)-trione |
CAS: |
261956-22-3 |
Synonyms: |
5-[4-(4-nitrophenyl)-1-piperazinyl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione; 5-[4-(4-nitrophenyl)piperazin-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione |
IUPAC Name: | 5-[4-(4-nitrophenyl)piperazin-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione |
Description: | 5-(4-Biphenylyl)-5-[4-(4-nitrophenyl)-1-piperazinyl]pyrimidine-2,4,6(1H,3H,5H)-trione (CAS# 261956-22-3) is also classified as an orally active and selective matrix metalloproteinases inhibitor. |
Molecular Weight: | 485.49 |
Molecular Formula: | C26H23N5O5 |
Canonical SMILES: | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3(C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)C5=CC=CC=C5 |
InChI: | InChI=1S/C26H23N5O5/c32-23-26(24(33)28-25(34)27-23,20-8-6-19(7-9-20)18-4-2-1-3-5-18)30-16-14-29(15-17-30)21-10-12-22(13-11-21)31(35)36/h1-13H,14-17H2,(H2,27,28,32,33,34) |
InChI Key: | NJKTYSXXGARILV-UHFFFAOYSA-N |
LogP: | 3.82900 |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22496348 | 20120701 | Increased MMPs expression and decreased contraction in the rat myometrium during pregnancy and in response to prolonged stretch and sex hormones | American journal of physiology. Endocrinology and metabolism |
22082680 | 20111213 | A key role for matrix metalloproteinases and neutral sphingomyelinase-2 in transplant vasculopathy triggered by anti-HLA antibody | Circulation |
21209796 | 20101130 | Reduced expression of the ROCK inhibitor Rnd3 is associated with increased invasiveness and metastatic potential in mesenchymal tumor cells | PloS one |
19482300 | 20100401 | MMP-2 induced vein relaxation via inhibition of [Ca2+]e-dependent mechanisms of venous smooth muscle contraction. Role of RGD peptides | The Journal of surgical research |
18329754 | 20081201 | 6-Substituted 2-oxo-2H-1-benzopyran-3-carboxylic acid derivatives in a new approach of the treatment of cancer cell invasion and metastasis | European journal of medicinal chemistry |
Complexity: | 825 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 485.16991885 |
Formal Charge: | 0 |
Heavy Atom Count: | 36 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 485.16991885 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 128 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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