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Chemical structure of AS-85

GC65918

AS-85

Also known as N-[[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]methyl]azetidine-3-carboxamide

AS-85 is a potent ASH1L histone methyltransferase inhibitor (IC50=0·6 μM) with anti-leukemic activity· AS-85 strongly binds to the ASH1L SET domain, with the Kd value of 0·78μM

ChemicalCAS2323623-80-7MW579.66FormulaC26H28F3N5O3S2
CAS number
2323623-80-7
Molecular weight
579.66
Formula
C26H28F3N5O3S2
Solubility
DMSO ： 100 mg/mL (172·51 mM; Need ultrasonic)
InChIKey
WDQKQCWRQIVDBA-UHFFFAOYSA-N
Catalogue number
GC65918
Brand
GLPBIO
Computed properties PubChem CID 138608677 · XLogP 2.5 · TPSA 150 Ų · H-bond donors 3
XLogP
2.5
TPSA
150 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
39

SMILES C1CN(CCC1N2C=C(C3=C2C=C(C=C3)CNC(=O)C4CNC4)C5=CC(=CC=C5)C(=S)N)S(=O)(=O)C(F)(F)F

Computed descriptors from PubChem (CID 138608677), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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