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(E/Z) -Zotiraciclib hydrochloride

CAT: 0931-T62056-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T62056-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1321626-25-8
Target
JAK, FLT, Others, CDK
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis, Cell Cycle/Checkpoint, Others, Chromatin/Epigenetic, Stem Cells, JAK/STAT signaling
Bioactivity
(E/Z) -Zotiraciclib ((E/Z) -TG02) hydrochloride is a potent inhibitor of CDK2, JAK2, and FLT3.
Smiles
Cl.CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Molecular Formula
C23H25ClN4O
Molecular Weight
408.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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