Products for Research Use Only
RegisterLogin

E3 ligase Ligand 44

CAT: 0804-HY-170304Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-170304Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
E3 ligase Ligand 44 is a ligand for E3 ligase, used for the synthesis of PROTAC AR Degrader-7.
CAS Number
2505504-49-2
UNSPSC
12352005
Target
Ligands for E3 Ligase
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e3-ligase-ligand-44.html
Smiles
O=C[C@@H]1[C@]2([H])[C@@]1([H])CN(C3=C(F)C=C(C(N(C4C(NC(CC4)=O)=O)C5=O)=O)C5=C3)C2
Molecular Formula
C19H16FN3O5
Molecular Weight
385.35
References & Citations
[1]DU wu, et al. Dual-function chimeric heterocyclic compound for targeted degradation of androgen receptor and application thereof. CN111825657A. 2020.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Von Hippel-Lindau (VHL)

Chemical Information

(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
CAS Number2505504-49-2
PubChem CID155212123
IUPAC Name(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
Molecular FormulaC19H16FN3O5
Molecular Weight385.3
XLogP0.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity776
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)N4C[C@@H]5[C@H](C4)C5C=O
InChI
InChI=1S/C19H16FN3O5/c20-13-3-8-9(4-15(13)22-5-10-11(6-22)12(10)7-24)19(28)23(18(8)27)14-1-2-16(25)21-17(14)26/h3-4,7,10-12,14H,1-2,5-6H2,(H,21,25,26)/t10-,11+,12?,14?
InChIKey
LWLKQWVUOALQCM-KCXRBIIJSA-N
Chemical Structure
2D Structure
2D structure of (1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
CAS: 2505504-49-2
CID: 155212123
Formula: C19H16FN3O5
MW: 385.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.3
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass385.10739878
Monoisotopic Mass385.10739878
Topological Polar Surface Area104 Ų
Heavy Atom Count28
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-W890189E3 ligase Ligand 54
HY-W245311-01E3 ligase Ligand 51
HY-W382038-01E3 ligase Ligand 32
HY-W1003189E3 ligase Ligand 42
HY-170986E3 ligase Ligand 57
HY-170861E3 ligase Ligand 58
HY-170449E3 ligase Ligand 48
HY-170371E3 ligase Ligand 47
HY-161639E3 ligase Ligand 26
HY-168243E3 ligase Ligand 36

Alternative Products

CatalogName
YSB56068-01E3 Ligase ligand 10
RPD48943-01E3 Ligase ligand 14
AZB38333E3 Ligase ligand 8
T207614-01E3 ligase Ligand 66
T207279-01E3 ligase Ligand 64
T206200-01E3 ligase Ligand 59
T205399-01E3 ligase Ligand 56
T204160-01E3 ligase Ligand 48
T201674-01E3 ligase Ligand 42
T201474-01E3 ligase Ligand 40

Popular Products