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(E/Z) -Zotiraciclib

CAT: 0931-T21503-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T21503-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
937270-47-8
Target
JAK, FLT, CDK
Related Pathways
Chromatin/Epigenetic, Cell Cycle/Checkpoint, JAK/STAT signaling, Angiogenesis, Tyrosine Kinase/Adaptors, Stem Cells
Purity
0.9992
Bioactivity
(E/Z) -Zotiraciclib ((E/Z) -TG02) effectively inhibits CDK2, JAK2, and FLT3 with IC50s of 13 nM, 73 nM, and 56 nM, respectively.
Smiles
CN1CC2=CC(N=C3NC(C=4C=C(C=CC4)OCCC=CC1)=CC=N3)=CC=C2
Molecular Formula
C23H24N4O
Molecular Weight
372.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Methyl-12-oxa-3,6-diaza-2(4,2)-pyrimidina-1,4(1,3)-dibenzenacyclododecaphan-8-ene
CAS Number937270-47-8
PubChem CID67354554
IUPAC Name14-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
Molecular FormulaC23H24N4O
Molecular Weight372.5
XLogP4.2
Topological Polar Surface Area50.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity499
SMILES
CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1
InChI
InChI=1S/C23H24N4O/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)
InChIKey
VXBAJLGYBMTJCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-12-oxa-3,6-diaza-2(4,2)-pyrimidina-1,4(1,3)-dibenzenacyclododecaphan-8-ene
CAS: 937270-47-8
CID: 67354554
Formula: C23H24N4O
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass372.19501140
Monoisotopic Mass372.19501140
Topological Polar Surface Area50.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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