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CCT 137690

CAT: 0013-GTR19163674-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163674-02Size:500 mg
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Description
A potent, orally bioavailable Aurora kinases inhibitor with IC50 of 15/25/19 nM for Aurora A/B/C; displays antiproliferative activity in a range of human tumor cell lines, including SW620 colon carcinoma (GI50=0.30 uM) and A2780 ovarian cancer cell line (GI50=0.14 uM) ; exhibits in vivo efficacy with no observed toxicities in SW620 colon carcinoma xenografts.
CAS Number
1095382-05-0
Product Name Alternative
CCT-137690 | CCT137690
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CN1CCN (C2=CC=C (C3=NC4=C (N5CCN (CC6=NOC (C) =C6) CC5) C (Br) =CN=C4N3) C=C2) CC1
Molecular Formula
C26H31BrN8O
Molecular Weight
551.4813
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3H-Imidazo[4,5-b]pyridine, 6-bromo-7-[4-[ (5-methyl-3-isoxazolyl) methyl]-1-piperazinyl]-2-[4- (4-methyl-1-piperazinyl) phenyl]-

Chemical Information

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

highly selective inhibitor of aurora kinases A and B

CAS Number1095382-05-0
PubChem CID25154041
IUPAC Name3-[[4-[6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
Molecular FormulaC26H31BrN8O
Molecular Weight551.5
XLogP3.3
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity710
SMILES
CC1=CC(=NO1)CN2CCN(CC2)C3=C4C(=NC=C3Br)N=C(N4)C5=CC=C(C=C5)N6CCN(CC6)C
InChI
InChI=1S/C26H31BrN8O/c1-18-15-20(31-36-18)17-33-9-13-35(14-10-33)24-22(27)16-28-26-23(24)29-25(30-26)19-3-5-21(6-4-19)34-11-7-32(2)8-12-34/h3-6,15-16H,7-14,17H2,1-2H3,(H,28,29,30)
InChIKey
GFLQCBTXTRCREJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 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
CAS: 1095382-05-0
CID: 25154041
Formula: C26H31BrN8O
MW: 551.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass550.18042
Monoisotopic Mass550.18042
Topological Polar Surface Area80.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
254907-01CCT 137690
B1935-25CCT-137690

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