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Sulfo-SIAB sodium

CAT: 0931-T18726-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18726-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144650-93-1
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Sulfo-SIAB sodium is a non-cleavable monovalent bifunctional linker.
Smiles
[Na].OS(=O)(=O)C1CC(=O)N(OC(=O)c2ccc(NC(=O)CI)cc2)C1=O
Molecular Formula
C13H10IN2NaO8S
Molecular Weight
504.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sulfo-N-succinimidyl (N-Iodoacetyl)aminobenzoate
CAS Number144650-93-1
PubChem CID4131104
IUPAC Namesodium 1-[4-[(2-iodoacetyl)amino]benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonate
Molecular FormulaC13H10IN2NaO8S
Molecular Weight504.19
Topological Polar Surface Area158
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity687
SMILES
C1C(C(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)NC(=O)CI)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C13H11IN2O8S.Na/c14-6-10(17)15-8-3-1-7(2-4-8)13(20)24-16-11(18)5-9(12(16)19)25(21,22)23;/h1-4,9H,5-6H2,(H,15,17)(H,21,22,23);/q;+1/p-1
InChIKey
HHSGWIABCIVPJT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sulfo-N-succinimidyl (N-Iodoacetyl)aminobenzoate
CAS: 144650-93-1
CID: 4131104
Formula: C13H10IN2NaO8S
MW: 504.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.19
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass503.91003
Monoisotopic Mass503.91003
Topological Polar Surface Area158 Ų
Heavy Atom Count26
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-D0975-01Sulfo-SMCC (sodium)
MBS5799404sulfo-DGN462 sodium
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