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Aurora A Inhibitor I

Aurora A Inhibitor I structure

CAS No:
1158838-45-9
Formula:
C31H31ClFN7O2
Chemical Name:
Aurora A Inhibitor I
Synonyms:
N-(2-Chlorophenyl)-4-(2-(4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)phenylamino)-5-fluoropyrimidin-4-ylamino)benzamide;N-(2-Chlorophenyl)-4-[[2-[[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]phenyl]amino]-5-fluoro-4-pyrimidinyl]amino]benzamide;Aurora A Inhibitor I;BenzaMide, N-(2-chlorophenyl)-4-[[2-[[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]phenyl]aMino]-5-fluoro-4-pyriMidinyl]aMino]-;N-(2-Chlorophenyl)-4-((2-((4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)-phenyl)amino)-5-fluoropyrimid;N-(2-Chlorophenyl)-4-((2-((4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)-phenyl)amino)-5-fluoropyri
Categories:
Biochemical Engineering > Inhibitors

Description

Aurora A inhibitor I is a potent and highly selective Aurora A inhibitor with with an IC50 of 3.4 nM.

N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]anilino]-5-fluoro-4-pyrimidinyl]amino]benzamide is a member of benzamides.

Aurora A Inhibitor I Basic Attributes

Molecular Weight：

588.0749432

Exact Mass：

587.221191

DSSTox ID：

DTXSID60657630

Characteristics

PSA：

103

XLogP3：

4.39

Appearance：

white to beige

Density：

1.362

Refractive Index：

1.679

Water Solubility：

DMSO: soluble10mg/mL, clear

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Computed Properties

Molecular Weight:588.1
XLogP3:5.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:587.2211791
Monoisotopic Mass:587.2211791
Topological Polar Surface Area:103
Heavy Atom Count:42
Complexity:862
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Aurora A Inhibitor I

CAS No.: 1158838-45-9

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