5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE
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5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE
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CAS No:
4311-88-0
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Formula:
C13H13N3OS
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Chemical Name:
5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE
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Synonyms:
Nec1;NECROSTATIN-1;MTH-DL-TRYPTOPHAN;IFLAB-BBF0911-6127;5-(INDOL-3-YLMETHYL)-3-METHYL-2-THIO-HYDANTOIN;MTH-DL-TryptophanMethylthiohydantoin-DL-tryptophan;Methylthiohydantoin-DL-tryptophan,MTH-DL-tryptophan;5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE;5-(1H-Indole-3ylmethyl)-3-methyl-2-thioxo-4-imidazolidinone;4-IMidazolidinone,5-(1H-indol-3-ylMethyl)-3-Methyl-2-thioxo-
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CAS No:
Description
Necrostatin-1 is a potent, selective and cell-permeable necroptosis inhibitor with an EC50 of 490 nM in Jurkat cells. It acts by inhibiting the death domain kinase RIP (RIP1) in the necroptosis pathway.
5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylidene-4-imidazolidinone is an organonitrogen compound and an organooxygen compound. It derives from an alpha-amino acid.
5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE Basic Attributes
259.33
259.077942
DTXSID40385186
2933990090
Characteristics
80.2
1.9
solid
1.4±0.1 g/cm3
151℃
441.9°C at 760 mmHg
93.3℃
1.738
DMSO: >10 mg/mL
−20°C
5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE Use and Manufacturing
Necroptosis is a regulated caspase-independent cell death mechanism that results in morphological features resembling necrosis. Necrostatin-1 is an inhibitor of RIP1 kinase that prevents the death of TNF-α-treated FADD-deficient Jurkat cells. Necrostatin-1 has been used to investigate the pathological importance of necroptosis in ischemic brain injury and myocardial infarction.
Computed Properties
Molecular Weight:259.33
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:259.07793322
Monoisotopic Mass:259.07793322
Topological Polar Surface Area:80.2
Heavy Atom Count:18
Complexity:373
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE
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