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Mal-Ph-CONH-PEG4-​NHS ester

CAT: 0804-HY-133545-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133545-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mal-Ph-CONH-PEG4- NHS ester is a non-cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs) .
CAS Number
1263044-88-7
UNSPSC
12352203
Hazard Statement
H302-H315-H319-H335
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/mal-ph-conh-peg4-nhs-ester.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
O=C(ON1C(CCC1=O)=O)CCOCCOCCOCCOCCNC(C2=CC=CC(N3C(C=CC3=O)=O)=C2)=O
Molecular Formula
C26H31N3O11
Molecular Weight
561.54
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16 (5) :315-337.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Non-cleavable Linker

Chemical Information

2,5-dioxopyrrolidin-1-yl 1-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate
CAS Number1263044-88-7
PubChem CID51341014
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC26H31N3O11
Molecular Weight561.5
XLogP-1.3
Topological Polar Surface Area167
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Heavy Atom Count40
Formal Charge0
Complexity920
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
InChI
InChI=1S/C26H31N3O11/c30-21-4-5-22(31)28(21)20-3-1-2-19(18-20)26(35)27-9-11-37-13-15-39-17-16-38-14-12-36-10-8-25(34)40-29-23(32)6-7-24(29)33/h1-5,18H,6-17H2,(H,27,35)
InChIKey
QDLKNPCHCJFKOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-dioxopyrrolidin-1-yl 1-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate
CAS: 1263044-88-7
CID: 51341014
Formula: C26H31N3O11
MW: 561.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.5
XLogP3-1.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Exact Mass561.19585881
Monoisotopic Mass561.19585881
Topological Polar Surface Area167 Ų
Heavy Atom Count40
Formal Charge0
Complexity920
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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