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Chemical structure of Necrostatin-1

GC11008

Necrostatin-1

Also known as 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one

Necrostatin-1 mainly acts on RIP1 in cells [5], Necrostatin-1 is a RIP1 kinase inhibitor with an IC50 value of 0·32 mM

ChemicalCAS4311-88-0MW259.33FormulaC13H13N3OS
CAS number
4311-88-0
Molecular weight
259.33
Formula
C13H13N3OS
Solubility
≥ 12·97 mg/mL in DMSO, ≥ 13·29 mg/mL in EtOH with ultrasonic
InChIKey
TXUWMXQFNYDOEZ-UHFFFAOYSA-N
Catalogue number
GC11008
Brand
GLPBIO
Computed properties PubChem CID 2828334 · XLogP 1.9 · TPSA 80.2 Ų · H-bond donors 2
XLogP
1.9
TPSA
80.2 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18

SMILES CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32

Computed descriptors from PubChem (CID 2828334), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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