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1072833-77-2

1072833-77-2 structural image
Product Name: (R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutylboronic acid
Formula: C14H19BCl2N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 361.0 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 360.0814926 g/mol
Monoisotopic Mass 360.0814926 g/mol
Topological Polar Surface Area 98.7 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 412
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Ixazomib is a glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma. It has a role as an apoptosis inducer, an orphan drug, a proteasome inhibitor, a drug metabolite and an antineoplastic agent. It is a member of benzamides, a dichlorobenzene, a glycine derivative and a member of boronic acids.

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