Necrostatin-1 - ≥95% , CAS No.64419-92-7

CAS: 64419-92-7 Cat. No.: N276209 Formula: C₁₂H₁₁N₃OS Peso molecolare: 245.3

GRADE & PURITY ≥95%

Synonyms

5-(Indole-3-yl)methyl-2-thioxo-imidazolidin-4-one | Nec-1i | 5-(1H-Indol-3-ylmethyl)-2-thioxo-imidazolidin-4-one | 5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone # | BDBM50519639 | 5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone | DTXSID10418692 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Sinonimi

5-(Indole-3-yl)methyl-2-thioxo-imidazolidin-4-one | Nec-1i | 5-(1H-Indol-3-ylmethyl)-2-thioxo-imidazolidin-4-one | 5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone # | BDBM50519639 | 5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone | DTXSID10418692 |

Specifiche e purezza

≥95%

Meccanismi biochimici e fisiologici

Cell-permeable N-demethylated thiohydantoin analog of Necrostatin-1 (Nec-1) without antinecroptotic properties; serves as an inactive control.

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(=S)N3

IUPAC Name

5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

InChIKey

MPLRRPKKFHUEEL-UHFFFAOYSA-N

INCHI

1S/C12H11N3OS/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H2,14,15,16,17)

Isomeri SMILES

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(=S)N3

Peso molecolare

245.3

Reaxy-Rn

242432

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=242432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: 3-alkylindoles Substituted pyrroles Imidazolidinones Benzenoids Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Imidazolidinone - Substituted pyrrole - Benzenoid - Pyrrole - Imidazolidine - Heteroaromatic compound - Thiourea - Organoheterocyclic compound - Azacycle - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

IDO1 Tchem Indoleamine 2,3-dioxygenase 1 (1 Activities)

Discover Target: IDO1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Jurkat (10389 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO
• Peso molecolare: 245.300 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 245.062 Da
• Monoisotopic Mass: 245.062 Da
• Topological Polar Surface Area: 89.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 347.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 64419-92-7, the molecular formula is C12H11N3OS, and the molecular weight is 245.3 g/mol. InChIKey MPLRRPKKFHUEEL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.