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Chemical structure of SMS1-IN-1

GC64395

SMS1-IN-1

Also known as N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide

SMS1-IN-1, compound SAPA 1j, is a novel and the most potent sphingomyelin synthase 1 (SMS1) inhibitor with an IC50 value of 2·1 μM

ChemicalCAS1807943-38-9MW503.41FormulaC23H23BrN2O4S
CAS number
1807943-38-9
Molecular weight
503.41
Formula
C23H23BrN2O4S
Solubility
DMSO ： 250 mg/mL (496·61 mM; Need ultrasonic)
InChIKey
CZAFIFBJBFDMTP-UHFFFAOYSA-N
Catalogue number
GC64395
Brand
GLPBIO
Computed properties PubChem CID 91938094 · XLogP 4.3 · TPSA 92.9 Ų · H-bond donors 2
XLogP
4.3
TPSA
92.9 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
31

SMILES C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)Br

Computed descriptors from PubChem (CID 91938094), 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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