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Biotin-PEG3-CH2COOH

CAT: 0804-HY-W096098-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W096098-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Biotin-PEG3-CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1189560-96-0
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-peg3-ch2cooh.html
Purity
96.09
Solubility
10 mM in DMSO
Smiles
O=C(O)COCCOCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O
Molecular Formula
C18H31N3O7S
Molecular Weight
433.52
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
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

Biotin-PEG3-CH2COOH
CAS Number1189560-96-0
PubChem CID132274884
IUPAC Name2-[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]acetic acid
Molecular FormulaC18H31N3O7S
Molecular Weight433.5
XLogP-0.8
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count29
Formal Charge0
Complexity538
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCC(=O)O)NC(=O)N2
InChI
InChI=1S/C18H31N3O7S/c22-15(19-5-6-26-7-8-27-9-10-28-11-16(23)24)4-2-1-3-14-17-13(12-29-14)20-18(25)21-17/h13-14,17H,1-12H2,(H,19,22)(H,23,24)(H2,20,21,25)/t13-,14-,17-/m0/s1
InChIKey
TZOKSJSRBNCFAS-ZQIUZPCESA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG3-CH2COOH
CAS: 1189560-96-0
CID: 132274884
Formula: C18H31N3O7S
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP3-0.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass433.18827151
Monoisotopic Mass433.18827151
Topological Polar Surface Area161 Ų
Heavy Atom Count29
Formal Charge0
Complexity538
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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