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TCS7010

CAT: 0804-HY-70061-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-70061-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TCS7010 is a potent and highly selective Aurora A inhibitor with with an IC50 of 3.4 nM.
CAS Number
1158838-45-9
UNSPSC
12352005
Hazard Statement
H302
Target
Apoptosis; Aurora Kinase
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/aurora-a-inhibitor-i.html
Purity
99.82
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(C=C1)NC2=C(F)C=NC(NC3=CC=C(C=C3)CC(N4CCN(CC4)CC)=O)=N2)NC5=CC=CC=C5Cl
Molecular Formula
C31H31ClFN7O2
Molecular Weight
588.08
Precautions
H302
References & Citations
[1]Aliagas-Martin I, Burdick D, Corson L, Dotson J, Drummond J, Fields C, Huang OW, Hunsaker T, Kleinheinz T, Krueger E, Liang J, Moffat J, Phillips G, Pulk R, Rawson TE, Ultsch M, Walker L, Wiesmann C, Zhang B, Zhu BY, Cochran AG.A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.J Med Chem. 2009 May 28;52 (10) :3300-7.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Aurora A; Aurora B

Chemical Information

2,4-Bisanilinopyrimidine, 10

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.

CAS Number1158838-45-9
PubChem CID44139710
IUPAC NameN-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-5-fluoropyrimidin-4-yl]amino]benzamide
Molecular FormulaC31H31ClFN7O2
Molecular Weight588.1
XLogP5.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity862
SMILES
CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5Cl)F
InChI
InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)
InChIKey
AKSIZPIFQAYJGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Bisanilinopyrimidine, 10
CAS: 1158838-45-9
CID: 44139710
Formula: C31H31ClFN7O2
MW: 588.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.1
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass587.2211791
Monoisotopic Mass587.2211791
Topological Polar Surface Area102 Ų
Heavy Atom Count42
Formal Charge0
Complexity862
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

Alternative Products

CatalogName
T6767-01TCS7010
C07806-5mgTCS7010 (Aurora A Inhibitor I)

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