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CCT 137690

CCT 137690 structure

CAS No:
1095382-05-0
Formula:
C26H31BrN8O
Chemical Name:
CCT 137690
Synonyms:
CCT 137690;6-bromo-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo[4,5-b]pyridine;3-[[4-[6-Bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methylisoxazole CCT-137690;CCT137690, >=98%;3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-
Categories:
Biochemical Engineering > Inhibitors

Description

CCT 137690 is a potent and orally available aurora kinase inhibitor with IC50s of 15, 25, and 19 nM for aurora A, B and C, respectively.

CCT 137690 Basic Attributes

Molecular Weight：

551.5

Exact Mass：

550.180420

DSSTox ID：

DTXSID30648898

Characteristics

PSA：

80.6

XLogP3：

3.3

Density：

1.424

Flash Point：

391.0±35.7 °C

Refractive Index：

1.664

Safety Information

Transport codes：

NONH for all modes of transport

Drug Information

MeSH Entry Terms：

3-((4-(6-bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole

Computed Properties

Molecular Weight:551.5
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:550.18042
Monoisotopic Mass:550.18042
Topological Polar Surface Area:80.6
Heavy Atom Count:36
Complexity:710
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes