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PROTAC eDHFR Degrader-1

CAT: 0013-GTR19218637-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218637-01Size:5 mg
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Description
PROTAC eDHFR Degrader-1 is a heterobifunctional molecule that potently degrades eDHFR-YFP fusion proteins and other POIs like Luciferase. It is a valuable chemical tool for targeted protein degradation studies in both cellular and animal models, facilitating research in chemical biology and therapeutic discovery.
CAS Number
2849442-92-6
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1NC (=O) C (N2C (=O) C=3C=CC=C (NCCOCCOCCNC (=O) CCCOC4=C (OC) C=C (C=C4OC) CC5=CN=C (N=C5N) N) C3C2=O) CC1
Molecular Formula
C36H44N8O10
Molecular Weight
748.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC eDHFR Degrader-1
CAS Number2849442-92-6
PubChem CID165411726
IUPAC Name4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]butanamide
Molecular FormulaC36H44N8O10
Molecular Weight748.8
XLogP1.1
Topological Polar Surface Area249
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Heavy Atom Count54
Formal Charge0
Complexity1270
SMILES
COC1=CC(=CC(=C1OCCCC(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C3=O)C4CCC(=O)NC4=O)OC)CC5=CN=C(N=C5N)N
InChI
InChI=1S/C36H44N8O10/c1-50-26-18-21(17-22-20-41-36(38)43-32(22)37)19-27(51-2)31(26)54-12-4-7-28(45)40-11-14-53-16-15-52-13-10-39-24-6-3-5-23-30(24)35(49)44(34(23)48)25-8-9-29(46)42-33(25)47/h3,5-6,18-20,25,39H,4,7-17H2,1-2H3,(H,40,45)(H,42,46,47)(H4,37,38,41,43)
InChIKey
PJVJIKUHLULMOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC eDHFR Degrader-1
CAS: 2849442-92-6
CID: 165411726
Formula: C36H44N8O10
MW: 748.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight748.8
XLogP31.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Exact Mass748.31803963
Monoisotopic Mass748.31803963
Topological Polar Surface Area249 Ų
Heavy Atom Count54
Formal Charge0
Complexity1270
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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