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Boc-NH-ethyl-SS-propionic acid

CAT: 0013-GTR19215920-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215920-01Size:100 mg
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Description
Boc-NH-ethyl-SS-propionic acid is a cleavable linker used in constructing antibody-drug conjugates (ADCs) for targeted cancer therapy. Its disulfide bridge facilitates intracellular drug release, making it valuable for both in vitro and in vivo research on ADC efficacy and stability.
CAS Number
485800-27-9
Field of Research
Pharmacology & Drug Discovery
Smiles
N (C (OC (C) (C) C) =O) CCSSCCC (O) =O
Molecular Formula
C10H19NO4S2
Molecular Weight
281.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Boc-NH-ethyl-SS-propionic acid
CAS Number485800-27-9
PubChem CID53386354
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyldisulfanyl]propanoic acid
Molecular FormulaC10H19NO4S2
Molecular Weight281.4
XLogP1.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count17
Formal Charge0
Complexity253
SMILES
CC(C)(C)OC(=O)NCCSSCCC(=O)O
InChI
InChI=1S/C10H19NO4S2/c1-10(2,3)15-9(14)11-5-7-17-16-6-4-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
CIJZYVBXQKYUFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-NH-ethyl-SS-propionic acid
CAS: 485800-27-9
CID: 53386354
Formula: C10H19NO4S2
MW: 281.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass281.07555043
Monoisotopic Mass281.07555043
Topological Polar Surface Area126 Ų
Heavy Atom Count17
Formal Charge0
Complexity253
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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