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Hesperadin

Hesperadin structure

CAS No:
422513-13-1
Formula:
C29H32N4O3S
Chemical Name:
Hesperadin
Synonyms:
Ethanesulfonamide,N-[2,3-dihydro-2-oxo-3-[(3Z)-phenyl[[4-(1-piperidinylmethyl)phenyl]amino]methylene]-1H-indol-5-yl]-;Ethanesulfonamide,N-[(3Z)-2,3-dihydro-2-oxo-3-[phenyl[[4-(1-piperidinylmethyl)phenyl]amino]methylene]-1H-indol-5-yl]-;N-[2,3-Dihydro-2-oxo-3-[(3Z)-phenyl[[4-(1-piperidinylmethyl)phenyl]amino]methylene]-1H-indol-5-yl]ethanesulfonamide;Hesperadin;Hesperadine
Categories:
Biochemical Engineering > Inhibitors

Description

Hesperadin is an ATP-competitive inhibitor of aurora B kinase with an IC50 of 250 nM.

Hesperadin is an oxindole that is indolin-2-one which is substituted at position 5 by an (ethylsulfonyl)nitrilo group and at position 2 by a methylidene group, which is itself substituted by a phenyl group and a [4-(piperidin-1-ylmethyl)phenyl]amino group. An Aurora B kinase inhibitor, it is used to inhibit chromosome alignment and segregation. It has a role as an Aurora kinase inhibitor. It is a member of oxindoles, a member of piperidines, a sulfonamide, an enamine and a tertiary amino compound.

Hesperadin Basic Attributes

Molecular Weight：

516.65438

Exact Mass：

516.65

UNII：

PTR491OS14

DSSTox ID：

DTXSID00195086

Characteristics

PSA：

98.9

XLogP3：

4.2

Density：

1.3±0.1 g/cm3

Refractive Index：

1.675

Drug Information

MeSH：

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)

MeSH Entry Terms：

hesperadin

Hesperadin Use and Manufacturing

Hesperadin phosphorylates human mitotic protein complexes that control physiological changes within the cell to allow for proper and successful chromosome segregation. It also targets aurora kinases in cancer treatment, affecting the chromosomes’regulation during mitosis.

Computed Properties

Molecular Weight:516.7
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:516.21951207
Monoisotopic Mass:516.21951207
Topological Polar Surface Area:106
Heavy Atom Count:37
Complexity:855
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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