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Mc-Dexamethasone

CAT: 0013-GTR19189556Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189556Size:25 mg
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Description
Mc-Dexamethasone is an antibody-drug conjugate (ADC) linker-payload, featuring the glucocorticoid receptor agonist dexamethasone conjugated via a non-cleavable MC linker. This construct is utilized in ADC research for investigating targeted drug delivery in both in vitro cellular assays and in vivo preclinical models.
CAS Number
1618096-56-2
Field of Research
Pharmacology & Drug Discovery
Smiles
[H][C@@]12C[C@@H] (C) [C@] (O) (C (CO) =NNCCCN3C (=O) C=CC3=O) [C@@]1 (C) C[C@H] (O) [C@@]1 (F) [C@@]2 ([H]) CCC2=CC (=O) C=C[C@]12C
Molecular Formula
C29H38FN3O6
Molecular Weight
543.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 165368076
CAS Number1618096-56-2
PubChem CID165368076
IUPAC Name1-[3-[(2Z)-2-[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]hydrazinyl]propyl]pyrrole-2,5-dione
Molecular FormulaC29H38FN3O6
Molecular Weight543.6
XLogP2.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity1200
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\NCCCN5C(=O)C=CC5=O)/CO)O)C)O)F)C
InChI
InChI=1S/C29H38FN3O6/c1-17-13-21-20-6-5-18-14-19(35)9-10-26(18,2)28(20,30)23(36)15-27(21,3)29(17,39)22(16-34)32-31-11-4-12-33-24(37)7-8-25(33)38/h7-10,14,17,20-21,23,31,34,36,39H,4-6,11-13,15-16H2,1-3H3/b32-22-/t17-,20+,21+,23+,26+,27+,28+,29+/m1/s1
InChIKey
XIJUSUBFGKYFLV-WWOOJRQSSA-N
Chemical Structure
2D Structure
2D structure of CID 165368076
CAS: 1618096-56-2
CID: 165368076
Formula: C29H38FN3O6
MW: 543.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.6
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass543.27446410
Monoisotopic Mass543.27446410
Topological Polar Surface Area140 Ų
Heavy Atom Count39
Formal Charge0
Complexity1200
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

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