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Biotin-PEG4-acid

CAT: 0804-HY-126959-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126959-01Size:50 mg
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Description
Biotin-PEG4-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTAC.
CAS Number
721431-18-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/biotin-peg4-acid.html
Purity
98.25
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)CCOCCOCCOCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O
Molecular Formula
C21H37N3O8S
Molecular Weight
491.60
Precautions
H302, H315, H319, H335
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
PEG Linkers

Chemical Information

17-Oxo-21-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno(3,4-d)imidazol-4-yl)-4,7,10,13-tetraoxa-16-azahenicosan-1-oic acid
CAS Number721431-18-1
PubChem CID17040189
IUPAC Name3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC21H37N3O8S
Molecular Weight491.6
XLogP-1
Topological Polar Surface Area170
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count33
Formal Charge0
Complexity598
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C21H37N3O8S/c25-18(4-2-1-3-17-20-16(15-33-17)23-21(28)24-20)22-6-8-30-10-12-32-14-13-31-11-9-29-7-5-19(26)27/h16-17,20H,1-15H2,(H,22,25)(H,26,27)(H2,23,24,28)/t16-,17-,20-/m0/s1
InChIKey
GYOXFFWLRKVJJX-ZWOKBUDYSA-N
Chemical Structure
2D Structure
2D structure of 17-Oxo-21-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno(3,4-d)imidazol-4-yl)-4,7,10,13-tetraoxa-16-azahenicosan-1-oic acid
CAS: 721431-18-1
CID: 17040189
Formula: C21H37N3O8S
MW: 491.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.6
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass491.23013632
Monoisotopic Mass491.23013632
Topological Polar Surface Area170 Ų
Heavy Atom Count33
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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