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Thalidomide-NH-C6-NH2

CAT: 0804-HY-129704Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-129704Size:1 Each
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Description
Thalidomide-NH-C6-NH2 is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology[1].
CAS Number
2093386-50-4
UNSPSC
12352005
Hazard Statement
H315-H319-H320
Target
Apoptosis; Autophagy; E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
Apoptosis; Autophagy; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/thalidomide-nh-c6-nh2.html
Solubility
10 mM in DMSO
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCN)=O
Molecular Formula
C19H24N4O4
Molecular Weight
372.42
Precautions
P264-P280-P302+P352-P305+P351+P338-P362
References & Citations
[1]Wang Z, et al. Proteolysis Targeting Chimeras for the Selective Degradation of Mcl-1/Bcl-2 Derived from Nonselective Target Binding Ligands. J Med Chem. 2019 Sep 12;62 (17) :8152-8163.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Thalidomide-NH-C6-NH2
CAS Number2093386-50-4
PubChem CID131999664
IUPAC Name4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC19H24N4O4
Molecular Weight372.4
XLogP1.4
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity609
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCN
InChI
InChI=1S/C19H24N4O4/c20-10-3-1-2-4-11-21-13-7-5-6-12-16(13)19(27)23(18(12)26)14-8-9-15(24)22-17(14)25/h5-7,14,21H,1-4,8-11,20H2,(H,22,24,25)
InChIKey
RIRBCYNKTDWXEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-NH-C6-NH2
CAS: 2093386-50-4
CID: 131999664
Formula: C19H24N4O4
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass372.17975526
Monoisotopic Mass372.17975526
Topological Polar Surface Area122 Ų
Heavy Atom Count27
Formal Charge0
Complexity609
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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