SML2446
TC-A2317 hydrochloride
≥98% (HPLC)
Synonym(s):
2-[(5-Hydroxy-1,5-dimethylhexyl)amino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-pyridinecarbonitrile hydrochloride
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About This Item
Empirical Formula (Hill Notation):
C19H28N6O · HCl
CAS Number:
Molecular Weight:
392.93
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
−20°C
SMILES string
CC1=CC(NC2=NNC(C)=C2)=NC(NC(C)CCCC(C)(C)O)=C1C#N.Cl
InChI
1S/C19H28N6O.ClH/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26;/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25);1H
InChI key
DXVATYHPJJPMIN-UHFFFAOYSA-N
Biochem/physiol Actions
Orally active, potent and selective aurora A kinase inhibitor with anti-cancer activity in vitro and in vivo.
TC-A2317 (TC-A 2317) is an orally active, potent and selective aurora A kinase inhibitor (Ki = 1.2 nM; Aurora B Ki = 101 nM; IC50 >1 μM toward 60 other kinases). TC-A2317 inhibits the proliferation of human colorectal carcinoma HCT116 cells in cultures (IC50 = 115 nM) and suppresses HCT116 xenograft-derived tumor growth in mice in vivo (by 59% on day 14; 30 mg/kg/day p.o.) with good pharmacokinectic properties, oral bioavailability (Tmax = 1.2 h, T1/2 = 3.3 h, Cmax = 4930 nM, C60 min = 52 nM in rat serum post 30 mg/kg p.o.), and no adverse effects to the animals. TC-A231 is a racemate with its (S)-enantiomer being more active than the (R)-enantiomer (respective Ki = 0.59 vs. 66 nM).
Storage Class
11 - Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
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