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PROTAC CDK9 Degrader-1

CAT: 0804-HY-103628-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103628-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC CDK9 Degrader-1 is a PROTAC connected by ligands for Cereblon and CDK as a selective CDK9 degrader.
CAS Number
2118356-96-8
UNSPSC
12352005
Hazard Statement
H315, H319, H320
Target
CDK; PROTACs
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PROTAC
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/PROTAC_6.html
Purity
99.55
Solubility
DMSO : ≥ 104 mg/mL
Smiles
O=C(CC1=CC=C(OCCCCCOC2=CC=CC(C(N3C4C(NC(CC4)=O)=O)=O)=C2C3=O)C=C1)NC5=CC(C6CCC6)=NN5
Molecular Formula
C33H35N5O7
Molecular Weight
613.66
Precautions
H315, H319, H320
References & Citations
[1]Robb CM, et al. Chemically induced degradation of CDK9 by a proteolysis targeting chimera (PROTAC) . Chem Commun (Camb) . 2017 Jul 4;53 (54) :7577-7580.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK9

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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Alternative Products

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A20040-50PROTAC CDK9 Degrader-1 50mg
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