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Chemical structure of Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Br

GC71233

Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Br

Also known as [2-[(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-6-[4-[[3-[[(2S)-2-[[(2S)-2-[(2-bromoacetyl)amino]propanoyl]amino]propanoyl]amino]phenyl]methyl]phenyl]-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] dihydrogen phosphate

Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Br is an Drug-linker conjugates for ADC that can be used as a reaction reagent for the synthesis of anti-CD40 antibody agent conjugates (ADCs)

ChemicalCAS2345733-40-4MW948.74FormulaC43H49BrF2N3O12P
CAS number
2345733-40-4
Molecular weight
948.74
Formula
C43H49BrF2N3O12P
Solubility
DMSO ： 100 mg/mL (105·40 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
LTEKXXMNHUVHKP-XXDIGLPESA-N
Catalogue number
GC71233
Brand
GLPBIO
Computed properties PubChem CID 148408229 · XLogP 3.7 · TPSA 227 Ų · H-bond donors 6
XLogP
3.7
TPSA
227 Ų
H-bond donors
6
H-bond acceptors
14
Rotatable bonds
13
Heavy atoms
62

SMILES C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC=CC(=C1)CC2=CC=C(C=C2)[C@@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@@H](C7=CC(=O)C=C[C@@]7([C@]6([C@H](C[C@@]5([C@@]4(O3)C(=O)COP(=O)(O)O)C)O)F)C)F)NC(=O)CBr

Computed descriptors from PubChem (CID 148408229), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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