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TC-A 2317 hydrochloride

CAT: 0931-T23426Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T23426Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1245907-03-2
Target
Aurora Kinase
Related Pathways
Chromatin/Epigenetic, Cell Cycle/Checkpoint
Bioactivity
TC-A 2317 hydrochloride is an inhibitor of Aurora kinase A (Ki of 1.2 nM) and Aurora kinase B (Ki of 101 nM), exhibiting antitumor activity.
Smiles
CC(CCCC(C)(O)C)NC(N=C(NC1=NNC(C)=C1)C=C2C)=C2C#N.Cl
Molecular Formula
C19H29ClN6O
Molecular Weight
392.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TC-A 2317 hydrochloride
CAS Number1245907-03-2
PubChem CID46911725
IUPAC Name2-[(6-hydroxy-6-methylheptan-2-yl)amino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile;hydrochloride
Molecular FormulaC19H29ClN6O
Molecular Weight392.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity490
SMILES
CC1=CC(=NC(=C1C#N)NC(C)CCCC(C)(C)O)NC2=NNC(=C2)C.Cl
InChI
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
InChIKey
DXVATYHPJJPMIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TC-A 2317 hydrochloride
CAS: 1245907-03-2
CID: 46911725
Formula: C19H29ClN6O
MW: 392.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight392.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass392.2091373
Monoisotopic Mass392.2091373
Topological Polar Surface Area110 Ų
Heavy Atom Count27
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes