CAS 1095382-05-0|CCT 137690

Introduction：Basic information about CAS 1095382-05-0|CCT 137690, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. CCT 137690 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	CCT 137690
CAS Number	1095382-05-0	Molecular Weight	551.481
Density	1.4±0.1 g/cm3	Boiling Point	722.9±70.0 °C at 760 mmHg
Molecular Formula	C₂₆H₃₁BrN₈O	Melting Point	/
MSDS	USA	Flash Point	391.0±35.7 °C

Names

Name	3-[[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
Synonym	More Synonyms

CCT 137690 BiologicalActivity

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.
Related Catalog	Research Areas >>Cancer
Target	Aurora A:15 nM (IC50) Aurora B:25 nM (IC50) Aurora C:19 nM (IC50)
In Vitro	CCT 137690 displays antiproliferative activity in a range of human tumor cell lines, including SW620 colon carcinoma (GI50=0.30 μM) and A2780 ovarian cancer cell line (GI50=0.14 μM). CCT 137690 inhibits in vitro phosphorylation of histone H3. CCT 137690 is a moderate inhibitor of the hERG ion-channel (IC50=3.0 μM)[1]. CCT137690 efficiently inhibits histone H3 and TACC3 phosphorylation (Aurora B and Aurora A substrates, respectively) in HCT116 and HeLa cells. Continuous exposure of tumour cells to the inhibitor causes multipolar spindle formation, chromosome misalignment, polyploidy and apoptosis[2].
In Vivo	CCT 137690 slows the growth of the SW620 xenografts with no observed toxicity[1]. CCT 137690 significantly inhibits tumour growth in a transgenic mouse model of neuroblastoma (TH-MYCN) that overexpresses MYCN protein and is predisposed to spontaneous neuroblastoma formation[2].
Cell Assay	Cells are plated in 96-well plates at 3,000 cells per well and are treated with a range of 0 to 25 mol/L of CCT137690 for 72 h. Cell proliferation assays are performed by colorimetric 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT)[2].
Animal Admin	Mice: Animals are randomized into two groups, group 1: treatment with 100 mg/kg CCT137690 n=4 or group 2: vehicle control n=4. Treatment is administered via oral gavage twice daily. Tumour volumes are measured at day 0, 3 (48 hours after treatment started), 7 and 10 using 1H MRI[2].
References	[1]. Bavetsias V, et al. Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J Med Chem. 2010 Jul 22;53(14):5213-28. [2]. Faisal A, et al. The aurora kinase inhibitor CCT137690 downregulates MYCN and sensitizes MYCN-amplified neuroblastoma in vivo. Mol Cancer Ther. 2011 Nov;10(11):2115-23.

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Boiling Point	722.9±70.0 °C at 760 mmHg
Molecular Formula	C₂₆H₃₁BrN₈O
Molecular Weight	551.481
Flash Point	391.0±35.7 °C
Exact Mass	550.180420
PSA	80.56000
LogP	3.07
Vapour Pressure	0.0±2.3 mmHg at 25°C
Index of Refraction	1.664
InChIKey	GFLQCBTXTRCREJ-UHFFFAOYSA-N
SMILES	Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1
Storage condition	-20℃

Safety Information

RIDADR	NONH for all modes of transport

Synonyms

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

6-Bromo-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperazinyl}-2-[4-(4-methyl-1-piperazinyl)phenyl]-1H-imidazo[4,5-b]pyridine

cc-66

1H-Imidazo[4,5-b]pyridine, 6-bromo-7-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazinyl]-2-[4-(4-methyl-1-piperazinyl)phenyl]-

CS-0706

CCT137690

CCT 137690

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