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

CAS: 64419-92-7 Cat. No.: N276209 Peso molecular: 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

Descripción general

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

Specifications

Sinónimos

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 |

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

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.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(=S)N3
• Peso molecular: 245.3
• Reaxy-Rn: 242432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=242432&ln=

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Peso molecular: 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

Referencias

1. Yao Li, Jie Wang, Yaru Li, Jiajia Luo, Fang Liu, Tiantian Chen, Yuting Ji, Hong Yang, Zheng Wang, Yanjun Zhao.  (2023)  Attenuating Uncontrolled Inflammation by Radical Trapping Chiral Polymer Micelles.  ACS Nano,      [PMID:37352508] [10.1021/acsnano.2c12356]

2. Lei Shu, Peili Luo, Chuanyu Ren, Ziwei Lai, Xuejuan Zhang, Chuanbin Wu, Xin Pan, Zhengwei Huang.  (2025)  Inhalable Fibroin Hybrid Liposomes for the Targeted Treatment of Lung Adenocarcinoma via Autophagy-Enhanced Ferroptosis.  ACS Nano,      [PMID:40878028] [10.1021/acsnano.5c09493]