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Me-Thalidomide-O-C8-NH2

CAT: 0804-HY-168307Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-168307Size:1 Each
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Description
Me-Thalidomide-O-C8-NH2 is an E3 ligase ligand-linker conjugate. Me-Thalidomide-O-C8-NH2 can be used in the synthesis of MS154N.
CAS Number
2550393-20-7
UNSPSC
12352005
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/me-thalidomide-o-c8-nh2.html
Smiles
NCCCCCCCCOC1=CC=CC(C2=O)=C1C(N2C3C(N(C)C(CC3)=O)=O)=O
Molecular Formula
C22H29N3O5
Molecular Weight
415.48
References & Citations
[1]Cheng M, et al. Discovery of potent and selective epidermal growth factor receptor (EGFR) bifunctional small-molecule degraders[J]. Journal of medicinal chemistry, 2020, 63 (3) : 1216-1232.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-(8-Aminooctoxy)-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CAS Number2550393-20-7
PubChem CID176419286
IUPAC Name4-(8-aminooctoxy)-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC22H29N3O5
Molecular Weight415.5
XLogP1.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity667
SMILES
CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCCCN
InChI
InChI=1S/C22H29N3O5/c1-24-18(26)12-11-16(21(24)28)25-20(27)15-9-8-10-17(19(15)22(25)29)30-14-7-5-3-2-4-6-13-23/h8-10,16H,2-7,11-14,23H2,1H3
InChIKey
SQDMQZBNBNYFPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(8-Aminooctoxy)-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CAS: 2550393-20-7
CID: 176419286
Formula: C22H29N3O5
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass415.21072103
Monoisotopic Mass415.21072103
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity667
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

CatalogName
GTR19240528-01Me-Thalidomide-O-C8-NH2
T39376Thalidomide-O-C8-NH2
MBS5800533Thalidomide-O-C8-NH2 hydrochloride
GTR19225653-01Thalidomide-O-amido-C8-NH2
T77955-01Thalidomide-5-O-C8-NH2 hydrochloride
A20174-500Thalidomide-O-amido-C8-NH2 500mg
PC108417-01Thalidomide-O-amido-C8-NH2 (TFA)
T18817-01Thalidomide-O-amido-C8-NH2 hydrochloride
A20174-100Thalidomide-O-amido-C8-NH2 100mg
MBS5799874Thalidomide-NH-C8-NH2

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