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313397-13-6 | Reversan
CAS No: 313397-13-6 Catalog No: AG003U4D MDL No:
Product Description
Catalog Number:
AG003U4D
Chemical Name:
Reversan
CAS Number:
313397-13-6
Molecular Formula:
C26H27N5O2
Molecular Weight:
441.5249
IUPAC Name:
N-(3-morpholin-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
InChI:
InChI=1S/C26H27N5O2/c32-26(27-12-7-13-30-14-16-33-17-15-30)22-19-28-31-24(21-10-5-2-6-11-21)18-23(29-25(22)31)20-8-3-1-4-9-20/h1-6,8-11,18-19H,7,12-17H2,(H,27,32)
InChI Key:
JTRXWCLQFAZHGP-UHFFFAOYSA-N
SMILES:
O=C(c1cnn2c1nc(cc2c1ccccc1)c1ccccc1)NCCCN1CCOCC1
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.216g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.535g/mol
Monoisotopic Mass:
441.216g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| ABCC multidrug transporters in childhood neuroblastoma: clinical and biological effects independent of cytotoxic drug efflux. | Journal of the National Cancer Institute 20110817 |
| Small-molecule multidrug resistance-associated protein 1 inhibitor reversan increases the therapeutic index of chemotherapy in mouse models of neuroblastoma. | Cancer research 20090815 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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