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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...
View on PubChemRaw 3D data
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

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