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60477-38-5 | p-Nitro-CyclicPifithrin-α
CAS No: 60477-38-5 Catalog No: AG01E6G8 MDL No:
Product Description
Catalog Number:
AG01E6G8
Chemical Name:
p-Nitro-CyclicPifithrin-α
CAS Number:
60477-38-5
Molecular Formula:
C15H13N3O2S
Molecular Weight:
299.3476
IUPAC Name:
2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
InChI:
InChI=1S/C15H13N3O2S/c19-18(20)11-7-5-10(6-8-11)12-9-17-13-3-1-2-4-14(13)21-15(17)16-12/h5-9H,1-4H2
InChI Key:
XMFNSEDROOHGBY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cn2c(n1)sc1c2CCCC1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.348g/mol
Monoisotopic Mass:
299.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Imino-tetrahydro-benzothiazole derivatives as p53 inhibitors: discovery of a highly potent in vivo inhibitor and its action mechanism. | Journal of medicinal chemistry 20060615 |
| Inhibitors of apoptosis in lymphocytes: synthesis and biological evaluation of compounds related to pifithrin-alpha. | Journal of medicinal chemistry 20051006 |
| Novel cyclized Pifithrin-alpha p53 inactivators: synthesis and biological studies. | Bioorganic & medicinal chemistry letters 20050315 |
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