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(E/Z) -Zotiraciclib (hydrochloride)

CAT: 0804-HY-15166A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15166A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(E/Z) -Zotiraciclib ((E/Z) -TG02) is an orally active inhibitor of CDK2, JAK2 and FLT3 with IC50s of 13, 73 and 56 nM, respectively. (E/Z) -Zotiraciclib effectively inhibits the proliferation of cancer cells, it can be used for the research of cancer[1][2].
CAS Number
1321626-25-8
Product Name Alternative
(E/Z) -TG02 (hydrochloride) ; (E/Z) -SB1317 (hydrochloride)
UNSPSC
12352005
Target
CDK; FLT3; JAK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e-z-zotiraciclib-hydrochloride.html
Purity
99.90
Solubility
DMSO : 33.33 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CN1CC2=CC(NC3=NC(C4=CC(OCC/C=C/C1)=CC=C4)=CC=N3)=CC=C2.Cl
Molecular Formula
C23H25ClN4O
Molecular Weight
408.92
References & Citations
[1]William AD, et al. Discovery of kinase spectrum selective macrocycle (16E) -14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo[19.3.1.1 (2,6) .1 (8,12) ]heptacosa-1 (25),2 (26),3,5,8 (27),9,11,16,21,23-decaene (SB1317/TG02), a potent inhibitor of cyclin dependent kinases (CDKs), Janus kinase 2 (JAK2), and fms-like tyrosine kinase-3 (FLT3) for the treatment of cancer. J Med Chem. 2012;55 (1) :169-196. |[2]Pasha MK, et al. Preclinical metabolism and pharmacokinetics of SB1317 (TG02), a potent CDK/JAK2/FLT3 inhibitor. Drug Metab Lett. 2012 Mar;6 (1) :33-42.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK2; JAK2

Chemical Information

(E/Z)-Zotiraciclib (hydrochloride)
CAS Number1321626-25-8
PubChem CID141730164
IUPAC Name(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;hydrochloride
Molecular FormulaC23H25ClN4O
Molecular Weight408.9
Topological Polar Surface Area50.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count29
Formal Charge0
Complexity499
SMILES
CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1.Cl
InChI
InChI=1S/C23H24N4O.ClH/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27;/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26);1H/b3-2+;
InChIKey
YPVRSANPCYTWDF-SQQVDAMQSA-N
Chemical Structure
2D Structure
2D structure of (E/Z)-Zotiraciclib (hydrochloride)
CAS: 1321626-25-8
CID: 141730164
Formula: C23H25ClN4O
MW: 408.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight408.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass408.1716891
Monoisotopic Mass408.1716891
Topological Polar Surface Area50.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes