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DACN (Tos2)

CAT: 0931-T89743-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T89743-02Size:50 mg
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CAS Number
1797508-57-6
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
DACN (Tos2) is a click chemistry reagent featuring a cyclic alkyne group. This group is characterized by its unique bent structure and high reactivity towards cycloaddition reactions. DACN (Tos2) utilizes the strain-promoted azide-alkyne cycloaddition (SPAAC) facilitated by its cyclic alkyne configuration. The compound is employed in the study of molecular conjugation.
Smiles
O=S(=O)(C1=CC=C(C=C1)C)N2CC#CCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C
Molecular Formula
C21H24N2O4S2
Molecular Weight
432.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DACN(Tos2)
CAS Number1797508-57-6
PubChem CID102363045
IUPAC Name1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazacyclonon-7-yne
Molecular FormulaC21H24N2O4S2
Molecular Weight432.6
XLogP2.8
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity747
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC#CC2)S(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C21H24N2O4S2/c1-18-6-10-20(11-7-18)28(24,25)22-14-3-4-15-23(17-5-16-22)29(26,27)21-12-8-19(2)9-13-21/h6-13H,5,14-17H2,1-2H3
InChIKey
MHCQOLBSDDIBOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DACN(Tos2)
CAS: 1797508-57-6
CID: 102363045
Formula: C21H24N2O4S2
MW: 432.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.6
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass432.11774960
Monoisotopic Mass432.11774960
Topological Polar Surface Area91.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity747
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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Alternative Products

CatalogName
HY-151697DACN (Tos2)
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GTR18015130TOS2 Antibody
MBS7061093Recombinant Saccharomyces cerevisiae Protein TOS2 (TOS2) , partial
HY-151707DACN (Tos, Ns)
GTR19237631-01DACN (Tos) hydrochloride
HY-151795DACN (Tos) (hydrochloride)
HY-151794DACN (Ms) (hydrochloride)
GTR19238346-01DACN (Ms, Ns)

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