Products for Research Use Only
RegisterLogin

Mal-PEG4-Val-Cit-PAB-OH

CAT: 0931-T15994-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T15994-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2055041-39-7
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Mal-PEG4-Val-Cit-PAB-OH, a cleavable 4-unit PEG ADC linker, is employed in the synthesis of antibody-drug conjugates (ADCs) [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

Related Products

CatalogName
T18291-01Mal-PEG4-Val-Cit-PAB
T203392-01Mal-PEG4-Val-Cit-PAB-MMAE
T15995-01Mal-PEG4-Val-Cit-PAB-PNP
T18267-01Mal-PEG1-Val-Cit-OH
TYD-01936-01Mal-amide-PEG8-Val-Cit-PAB-OH
T18240-01Mal-amido-PEG2-Val-Cit-PAB-OH
TYD-01916-01Boc-PEG4-Val-Cit-PAB-OH
T15984-01Mal-PEG2-Val-Cit-amido-PAB-OH
T14453Azido-PEG4-Val-Cit-PAB-OH
TYD-02059-01NH2-PEG4-Val-Cit-PAB-OH

Alternative Products

CatalogName
GTR19226365-01Mal-PEG4-Val-Cit-PAB-OH
BA2559-10Mal-PEG4-Val-Cit-PAB
BA2479-50Mal-PEG4-Val-Cit-PAB-PNP
BUP22189-01Mal-PEG4-Val-Cit-PAB-MMAE
BA2468-25Azido-PEG4-Val-Cit-PAB-OH

Popular Products