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NHPI-PEG4-C2-Pfp ester

CAT: 0804-HY-130090-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130090-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NHPI-PEG4-C2-Pfp ester is used as a linker for antibody-drug conjugates (ADC) .
CAS Number
2101206-46-4
UNSPSC
12352203
Hazard Statement
H302
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nhpi-peg4-c2-pfp-ester.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)CCOCCOCCOCCOCCON(C(C2=C3C=CC=C2)=O)C3=O
Molecular Formula
C25H24F5NO9
Molecular Weight
577.45
Precautions
P264-P270-P330-P501
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported

Chemical Information

NHPI-PEG4-C2-Pfp ester
CAS Number2101206-46-4
PubChem CID129896963
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC25H24F5NO9
Molecular Weight577.4
XLogP2.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Heavy Atom Count40
Formal Charge0
Complexity788
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OCCOCCOCCOCCOCCC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C25H24F5NO9/c26-18-19(27)21(29)23(22(30)20(18)28)40-17(32)5-6-35-7-8-36-9-10-37-11-12-38-13-14-39-31-24(33)15-3-1-2-4-16(15)25(31)34/h1-4H,5-14H2
InChIKey
XHCPQOPVDGGVBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NHPI-PEG4-C2-Pfp ester
CAS: 2101206-46-4
CID: 129896963
Formula: C25H24F5NO9
MW: 577.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.4
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Exact Mass577.13712215
Monoisotopic Mass577.13712215
Topological Polar Surface Area110 Ų
Heavy Atom Count40
Formal Charge0
Complexity788
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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