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Mal-PEG4-VA

CAT: 0013-GTR19225339-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225339-01Size:100 mg
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Description
Mal-PEG4-VA is a non-cleavable linker featuring a maleimide group, designed for constructing stable antibody-drug conjugates (ADCs) . It is widely used in both in vitro and in vivo cancer research to develop therapeutics with prolonged circulation and efficacy by preventing premature payload release.
CAS Number
1800456-31-8
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CC (NCCOCCOCCOCCOCCC (N[C@H] (C (N[C@H] (C (O) =O) C) =O) C (C) C) =O) =O) N1C (=O) C=CC1=O
Molecular Formula
C26H42N4O11
Molecular Weight
586.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-PEG4-VA
CAS Number1800456-31-8
PubChem CID118197203
IUPAC Name(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoic acid
Molecular FormulaC26H42N4O11
Molecular Weight586.6
XLogP-1.9
Topological Polar Surface Area199
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Heavy Atom Count41
Formal Charge0
Complexity892
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C26H42N4O11/c1-18(2)24(25(35)28-19(3)26(36)37)29-21(32)7-10-38-12-14-40-16-17-41-15-13-39-11-8-27-20(31)6-9-30-22(33)4-5-23(30)34/h4-5,18-19,24H,6-17H2,1-3H3,(H,27,31)(H,28,35)(H,29,32)(H,36,37)/t19-,24-/m0/s1
InChIKey
JQKQDAYKTXEJOZ-CYFREDJKSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG4-VA
CAS: 1800456-31-8
CID: 118197203
Formula: C26H42N4O11
MW: 586.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.6
XLogP3-1.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Exact Mass586.28500817
Monoisotopic Mass586.28500817
Topological Polar Surface Area199 Ų
Heavy Atom Count41
Formal Charge0
Complexity892
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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