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DMAC-PDB

CAT: 0013-GTR19225640-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225640-01Size:100 mg
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Description
DMAC-PDB is a cleavable crosslinker essential for synthesizing antibody-drug conjugates (ADCs) . Its designed cleavage mechanism enables controlled payload release in both in vitro and in vivo research models, targeting specific cells to study ADC efficacy and therapeutic windows.
CAS Number
663599-04-0
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (O) CCCSSC1=NC=C (C=C1) C (=O) N (C) C
Molecular Formula
C12H16N2O3S2
Molecular Weight
300.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dmac-pdb
CAS Number663599-04-0
PubChem CID85941686
IUPAC Name4-[[5-(dimethylcarbamoyl)-2-pyridinyl]disulfanyl]butanoic acid
Molecular FormulaC12H16N2O3S2
Molecular Weight300.4
XLogP1
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity313
SMILES
CN(C)C(=O)C1=CN=C(C=C1)SSCCCC(=O)O
InChI
InChI=1S/C12H16N2O3S2/c1-14(2)12(17)9-5-6-10(13-8-9)19-18-7-3-4-11(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)
InChIKey
BLJGVBXSYKCBFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dmac-pdb
CAS: 663599-04-0
CID: 85941686
Formula: C12H16N2O3S2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass300.06023472
Monoisotopic Mass300.06023472
Topological Polar Surface Area121 Ų
Heavy Atom Count19
Formal Charge0
Complexity313
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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