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CYC116

CAT: 1568-C16159-02Size: 200 mgDry Ice: YesHazardous: No
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CAT#:1568-C16159-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
693228-63-6
SKU
C16159-200mg
Target
Aurora Kinase
Applications
Cell Cycle
Smiles
CC1=C (SC (=N1) N) C2=NC (=NC=C2) NC3=CC=C (C=C3) N4CCOCC4
Molecular Formula
C18H20N6OS
Additionnal Information
CYC116 is a potent inhibitor of Aurora A/B with Ki of 8.0 nM/9.2 nM, is less potent to VEGFR2 (Ki of 44 nM), with 50-fold greater potency than CDKs, not active against PKA, Akt/PKB, PKC, no effect on GSK-3α/β, CK2, Plk1 and SAPK2A. Phase 1.
Storage Conditions
2 years -80 in solvent

Chemical Information

Cyc-116

CYC116 is a novel anticancer compound with a unique target profile involving both cell cycle and angiogenesis inhibition mechanisms. In preclinical studies, CYC116 has demonstrated antitumor activity in both solid tumors and hematological cancers. Cyclacel's small molecule investigational drug, CYC116, is the third orally-available Cyclacel drug to enter development, which demonstrated anticancer activity with a mechanism consistent with inhibition of Aurora kinase.

CAS Number693228-63-6
PubChem CID6420138
IUPAC Name4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
Molecular FormulaC18H20N6OS
Molecular Weight368.5
XLogP2.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity443
SMILES
CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
InChIKey
GPSZYOIFQZPWEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyc-116
CAS: 693228-63-6
CID: 6420138
Formula: C18H20N6OS
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass368.14193046
Monoisotopic Mass368.14193046
Topological Polar Surface Area117 Ų
Heavy Atom Count26
Formal Charge0
Complexity443
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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