873436-91-0
Product Name:
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
Formula:
C18H21IN6O2S
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COMPUTED DESCRIPTORS
Molecular Weight | 512.4 g/mol |
---|---|
XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 7 |
Exact Mass | 512.04914 g/mol |
Monoisotopic Mass | 512.04914 g/mol |
Topological Polar Surface Area | 125 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 521 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Zelavespib (PU-H71) has been used in trials studying the treatment of LYMPHOMA, Solid Tumors, Metastatic Solid Tumor, and Myeloproliferative Neoplasms (MPN).