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CDK9-PROTAC

CAT: 1410-M13368-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M13368-01Size:5 mg
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Description
CDK9-PROTAC is a heterobifunctional small molecule PROTAC capable of cereblon mediated proteasomal degradation of CDK9.
CAS Number
2118356-96-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
613.671
Molecular Formula
C33H35N5O7
Notes
Research use only, not for human use.
Receptor
PROTAC

Chemical Information

PROTAC CDK9 Degrader-1
CAS Number2118356-96-8
PubChem CID132472236
IUPAC NameN-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentoxy]phenyl]acetamide
Molecular FormulaC33H35N5O7
Molecular Weight613.7
XLogP3.4
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity1110
SMILES
C1CC(C1)C2=CC(=NN2)NC(=O)CC3=CC=C(C=C3)OCCCCCOC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O
InChI
InChI=1S/C33H35N5O7/c39-28-15-14-25(31(41)35-28)38-32(42)23-8-5-9-26(30(23)33(38)43)45-17-3-1-2-16-44-22-12-10-20(11-13-22)18-29(40)34-27-19-24(36-37-27)21-6-4-7-21/h5,8-13,19,21,25H,1-4,6-7,14-18H2,(H,35,39,41)(H2,34,36,37,40)
InChIKey
WCEHIDWONYOKOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC CDK9 Degrader-1
CAS: 2118356-96-8
CID: 132472236
Formula: C33H35N5O7
MW: 613.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight613.7
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass613.25364847
Monoisotopic Mass613.25364847
Topological Polar Surface Area160 Ų
Heavy Atom Count45
Formal Charge0
Complexity1110
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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MBS3603368-01CDK9-PROTAC
T74852-01PROTAC CDK9 degrader-6
T39997-01PROTAC CDK9 ligand-1
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MBS5770598PROTAC CDK9 degrader-2
MBS5820589PROTAC CDK9 degrader-8
T205652-01PROTAC CDK9 degrader-11
HY-103628-01PROTAC CDK9 Degrader-1
MBS5816789PROTAC CDK9 degrader-7
T39996-01PROTAC CDK9 degrader 4

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