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Aminoethyl-SS-propionic acid

CAT: 0013-GTR19215966-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215966-01Size:100 mg
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Description
Aminoethyl-SS-propionic acid is a cleavable linker used in antibody-drug conjugate (ADC) synthesis. It enables targeted drug delivery by facilitating the controlled release of cytotoxic payloads in both in vitro and in vivo research settings for cancer therapy development.
CAS Number
15579-00-7
Field of Research
Pharmacology & Drug Discovery
Smiles
NCCSSCCC (O) =O
Molecular Formula
C5H11NO2S2
Molecular Weight
181.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((2-Aminoethyl)disulfanyl)propanoic acid
CAS Number15579-00-7
PubChem CID5195062
IUPAC Name3-(2-aminoethyldisulfanyl)propanoic acid
Molecular FormulaC5H11NO2S2
Molecular Weight181.3
XLogP-2.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
C(CSSCCN)C(=O)O
InChI
InChI=1S/C5H11NO2S2/c6-2-4-10-9-3-1-5(7)8/h1-4,6H2,(H,7,8)
InChIKey
HMMFDEBVQNRZLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((2-Aminoethyl)disulfanyl)propanoic acid
CAS: 15579-00-7
CID: 5195062
Formula: C5H11NO2S2
MW: 181.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight181.3
XLogP3-2.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass181.02312094
Monoisotopic Mass181.02312094
Topological Polar Surface Area114 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.6
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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