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DEX-maleimide

CAT: 0804-HY-46225-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-46225-01Size:10 mg
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Description
DEX-maleimide is a coupling agent that can be used to synthesize conjugates containing single-domain antibodies (VHH) conjugated with antigens and anti-inflammatory agents. DEX-maleimide can be used for research on autoimmune diseases[1].
CAS Number
2754462-35-4
UNSPSC
12352005
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/dex-maleimide.html
Purity
99.80
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@]([C@](O)1/C(CO)=N/NC(CCN(C2=O)C(C=C2)=O)=O)(C[C@@H]3O)[C@](C[C@H]1C)([H])[C@@](CCC4=CC5=O)([H])[C@]3([C@]4(C=C5)C)F
Molecular Formula
C29H36FN3O7
Molecular Weight
557.61
References & Citations
[1]Pishesha, et al. Nanobody (VHH) conjugates and uses thereof. U.S., WO2021247688 A2. 2023-07-27.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

DEX-maleimide
CAS Number2754462-35-4
PubChem CID170836235
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[(E)-[1-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethylidene]amino]propanamide
Molecular FormulaC29H36FN3O7
Molecular Weight557.6
XLogP0.9
Topological Polar Surface Area157
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity1270
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(/C(=N/NC(=O)CCN5C(=O)C=CC5=O)/CO)O)C)O)F)C
InChI
InChI=1S/C29H36FN3O7/c1-16-12-20-19-5-4-17-13-18(35)8-10-26(17,2)28(19,30)22(36)14-27(20,3)29(16,40)21(15-34)31-32-23(37)9-11-33-24(38)6-7-25(33)39/h6-8,10,13,16,19-20,22,34,36,40H,4-5,9,11-12,14-15H2,1-3H3,(H,32,37)/b31-21+/t16-,19+,20+,22+,26+,27+,28+,29+/m1/s1
InChIKey
PBGDVXWMHIXDSY-LQKDZXDDSA-N
Chemical Structure
2D Structure
2D structure of DEX-maleimide
CAS: 2754462-35-4
CID: 170836235
Formula: C29H36FN3O7
MW: 557.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight557.6
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass557.25372866
Monoisotopic Mass557.25372866
Topological Polar Surface Area157 Ų
Heavy Atom Count40
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes