Products for Research Use Only

Mal-PEG4-Val-Cit-PAB-OH

CAT: 0013-GTR19226365-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19226365-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Mal-PEG4-Val-Cit-PAB-OH is a protease-cleavable linker used in constructing antibody-drug conjugates (ADCs) for targeted cancer therapy. It enables the controlled release of cytotoxic payloads in both in vitro and in vivo research models, facilitating the study of ADC efficacy and stability.
CAS Number
2055041-39-7
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
CC (C) [C@H] (NC (=O) CCOCCOCCOCCOCCN1C (=O) C=CC1=O) C (=O) N[C@@H] (CCCNC (N) =O) C (=O) Nc1ccc (CO) cc1 |c:24, @@:1|
Molecular Formula
C33H50N6O11
Molecular Weight
706.794
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-PEG4-Val-Cit-PAB-OH
CAS Number2055041-39-7
PubChem CID119058241
IUPAC Name(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-N-[4-(hydroxymethyl)phenyl]pentanamide
Molecular FormulaC33H50N6O11
Molecular Weight706.8
XLogP-1.6
Topological Polar Surface Area237
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Heavy Atom Count50
Formal Charge0
Complexity1100
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C33H50N6O11/c1-23(2)30(32(45)37-26(4-3-12-35-33(34)46)31(44)36-25-7-5-24(22-40)6-8-25)38-27(41)11-14-47-16-18-49-20-21-50-19-17-48-15-13-39-28(42)9-10-29(39)43/h5-10,23,26,30,40H,3-4,11-22H2,1-2H3,(H,36,44)(H,37,45)(H,38,41)(H3,34,35,46)/t26-,30-/m0/s1
InChIKey
RFGYJIMAJDHMSQ-YZNIXAGQSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG4-Val-Cit-PAB-OH
CAS: 2055041-39-7
CID: 119058241
Formula: C33H50N6O11
MW: 706.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight706.8
XLogP3-1.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Exact Mass706.35375643
Monoisotopic Mass706.35375643
Topological Polar Surface Area237 Ų
Heavy Atom Count50
Formal Charge0
Complexity1100
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