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PC Mal-NHS carbonate ester

CAT: 0013-GTR19225116-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225116-01Size:100 mg
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Description
PC Mal-NHS carbonate ester is a cleavable linker for synthesizing antibody-drug conjugates (ADCs) . Its carbonate bond enables controlled drug release in target environments, supporting ADC development for targeted cancer therapy in both in vitro and in vivo research applications.
CAS Number
1408057-91-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (ON1C (=O) CCC1=O) OC (C2=CC (OC) =C (OCCCC (=O) NCCN3C (=O) C=CC3=O) C=C2N (=O) =O) C
Molecular Formula
C24H26N4O12
Molecular Weight
562.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PC Mal-NHS carbonate ester
CAS Number1408057-91-9
PubChem CID123132071
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 1-[4-[4-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl carbonate
Molecular FormulaC24H26N4O12
Molecular Weight562.5
XLogP0.2
Topological Polar Surface Area204
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count40
Formal Charge0
Complexity1020
SMILES
CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCN2C(=O)C=CC2=O)OC)OC(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C24H26N4O12/c1-14(39-24(34)40-27-22(32)7-8-23(27)33)15-12-17(37-2)18(13-16(15)28(35)36)38-11-3-4-19(29)25-9-10-26-20(30)5-6-21(26)31/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,25,29)
InChIKey
YDJBJIRRIMMTEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PC Mal-NHS carbonate ester
CAS: 1408057-91-9
CID: 123132071
Formula: C24H26N4O12
MW: 562.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.5
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass562.15472228
Monoisotopic Mass562.15472228
Topological Polar Surface Area204 Ų
Heavy Atom Count40
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-140140-01PC Mal-NHS carbonate ester
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HY-126504-01Mal-PEG2-NHS ester
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