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Fmoc-NH-ethyl-SS-propionic acid

CAT: 0013-GTR19226519Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226519Size:2 mg
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Description
Fmoc-NH-ethyl-SS-propionic acid is a cleavable disulfide linker used in ADC development. It enables the construction of conjugates where the cytotoxic payload is selectively released in the reducing intracellular environment, facilitating targeted drug delivery research in both in vitro and in vivo models.
CAS Number
864235-83-6
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (O) CCSSCCNC (=O) OCC1C=2C=CC=CC2C=3C=CC=CC31
Molecular Formula
C20H21NO4S2
Molecular Weight
403.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fmoc-NH-ethyl-SS-propionic acid
CAS Number864235-83-6
PubChem CID59193443
IUPAC Name3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyldisulfanyl]propanoic acid
Molecular FormulaC20H21NO4S2
Molecular Weight403.5
XLogP3.2
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity482
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCSSCCC(=O)O
InChI
InChI=1S/C20H21NO4S2/c22-19(23)9-11-26-27-12-10-21-20(24)25-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,21,24)(H,22,23)
InChIKey
FXHUKQIBGGQHPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-NH-ethyl-SS-propionic acid
CAS: 864235-83-6
CID: 59193443
Formula: C20H21NO4S2
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass403.09120050
Monoisotopic Mass403.09120050
Topological Polar Surface Area126 Ų
Heavy Atom Count27
Formal Charge0
Complexity482
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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