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ZNL 02-096

CAT: 0931-T41163-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T41163-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2414418-49-6
Target
PROTACs, Apoptosis, Wee1
Related Pathways
Cell Cycle/Checkpoint, PROTAC, Apoptosis
Purity
0.9984
Bioactivity
ZNL 02-096 (Pomalidomide-C3-adavosertib) is a rapid and selective degrader of Wee1 (IC50=3.58 nM) .ZNL 02-096 selectively degrades Wee1 at submolar concentrations without damaging PLK1, a secondary target of AZD 1775.ZNL 02-096 induces degradation of Wee1 and accumulation of DNA damage in MOLT-4 cells in vitro, In vitro in MOLT-4 cells, ZNL 02-096 induced Wee1 degradation, accumulation of DNA damage, cell cycle arrest in G2/M phase and apoptosis.ZNL 02-096 showed anti-proliferative effects in 300 cancer cell lines.
Smiles
C(C=C)N1N(C=2C(C1=O)=CN=C(NC3=CC=C(C=C3)N4CCN(CCCNC5=C6C(C(=O)N(C6=O)C7C(=O)NC(=O)CC7)=CC=C5)CC4)N2)C=8N=C(C(C)(C)O)C=CC8
Molecular Formula
C42H45N11O6
Molecular Weight
799.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pomalidomide-C3-adavosertib
CAS Number2414418-49-6
PubChem CID153555373
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[3-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]propylamino]isoindole-1,3-dione
Molecular FormulaC42H45N11O6
Molecular Weight799.9
XLogP3.9
Topological Polar Surface Area197
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Heavy Atom Count59
Formal Charge0
Complexity1580
SMILES
CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)CCCNC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)O
InChI
InChI=1S/C42H45N11O6/c1-4-19-51-38(56)29-25-44-41(48-36(29)53(51)33-11-6-10-32(46-33)42(2,3)59)45-26-12-14-27(15-13-26)50-23-21-49(22-24-50)20-7-18-43-30-9-5-8-28-35(30)40(58)52(39(28)57)31-16-17-34(54)47-37(31)55/h4-6,8-15,25,31,43,59H,1,7,16-24H2,2-3H3,(H,44,45,48)(H,47,54,55)
InChIKey
LZUDSNUROXNVPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-C3-adavosertib
CAS: 2414418-49-6
CID: 153555373
Formula: C42H45N11O6
MW: 799.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight799.9
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Exact Mass799.35542820
Monoisotopic Mass799.35542820
Topological Polar Surface Area197 Ų
Heavy Atom Count59
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BUP09367-01ZNL 02-096
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BA8056-5CDE-096
GTR19259431-01CDE 096
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HY-117485CBR-096-4
99-691-CISISLET GRADIENT 1.096
804020STN 1651-050*096-B7541 AC Signs
804028STN 1655-050*096-B7541 AC Signs
804016PIC 1609-050*096-B7541 AC Signs

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