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Cl-C6-PEG4-O-CH2COOH

CAT: 0804-HY-112496-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112496-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cl-C6-PEG4-O-CH2COOH (PROTAC Linker 4) is a PEG-based PROTAC linker can be used in the synthesis of chloroalkane-containing PROTACs (HaloPROTACs) [1].
CAS Number
1799506-30-1
Product Name Alternative
PROTAC Linker 4
UNSPSC
12352211
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/PROTAC_Linker_4.html
Purity
99.46
Solubility
DMSO : 100 mg/mL (ultrasonic) |Ethanol : 100 mg/mL (ultrasonic)
Smiles
ClCCCCCCOCCOCCOCCOCCOCC(O)=O
Molecular Formula
C16H31ClO7
Molecular Weight
370.87
Precautions
H302, H315, H319, H335
References & Citations
[1]Buckley DL, et al. HaloPROTACS: Use of Small Molecule PROTACs to Induce Degradation of HaloTag Fusion Proteins. ACS Chem Biol. 2015 Aug 21;10 (8) :1831-7.
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

Cl-C6-PEG4-O-CH2COOH
CAS Number1799506-30-1
PubChem CID134694956
IUPAC Name2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Molecular FormulaC16H31ClO7
Molecular Weight370.9
XLogP1.1
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count20
Heavy Atom Count24
Formal Charge0
Complexity267
SMILES
C(CCCCl)CCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C16H31ClO7/c17-5-3-1-2-4-6-20-7-8-21-9-10-22-11-12-23-13-14-24-15-16(18)19/h1-15H2,(H,18,19)
InChIKey
JKRQJQUHILRKGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cl-C6-PEG4-O-CH2COOH
CAS: 1799506-30-1
CID: 134694956
Formula: C16H31ClO7
MW: 370.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.9
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count20
Exact Mass370.1758310
Monoisotopic Mass370.1758310
Topological Polar Surface Area83.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity267
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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