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5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE

5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE structure

CAS No:
4311-88-0
Formula:
C13H13N3OS
Chemical Name:
5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE
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-
Categories:
Biochemical Engineering > Inhibitors

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

Molecular Weight：

259.33

Exact Mass：

259.077942

DSSTox ID：

DTXSID40385186

HScode：

2933990090

Characteristics

PSA：

80.2

XLogP3：

1.9

Appearance：

solid

Density：

1.4±0.1 g/cm3

Melting Point：

151℃

Boiling Point：

441.9°C at 760 mmHg

Flash Point：

93.3℃

Refractive Index：

1.738

Water Solubility：

DMSO: >10 mg/mL

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/39

safety instructions：

36/37/39

Drug Information

MeSH Entry Terms：

Nec-1 compound

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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Necrostatin-1

CAS No.: 4311-88-0

Content: 97%

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Guide of 5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE

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