Necrostatin-7 - ≥98% , CAS No.351062-08-3

CAS: 351062-08-3 Cat. No.: N274719 Molecular Weight: 371.41 EC Number: 689-430-3 PubChem CID: 1239801

GRADE & PURITY ≥98%

Synonyms

SMJGLNVGTJLIRV-KBEFMPHXSA-N | (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one | 5-[[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-3-(2-thiazolyl)-4-thiazolidinone | HMS621M06 | Necrostati

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

SMJGLNVGTJLIRV-KBEFMPHXSA-N | (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1, 3-thiazol-2-yl)-1, 3-thiazolidin-4-one | 5-[[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-3-(2-thiazolyl)-4-thiazolidinone | HMS621M06 | Necrostati

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Necroptosis inhibitor. Structurally distinct from other necrostatins (Nec-1, Nec-3, Nec-4 and Nec-5).

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Note

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C2=C(C=NN2)C=C3C(=O)N(C(=N)S3)C4=NC=CS4)F
• IUPAC Name: (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
• InChIKey: SMJGLNVGTJLIRV-KBEFMPHXSA-N
• INCHI: 1S/C16H10FN5OS2/c17-11-3-1-9(2-4-11)13-10(8-20-21-13)7-12-14(23)22(15(18)25-12)16-19-5-6-24-16/h1-8,18H,(H,20,21)/b12-7-,18-15?
• Isomeric SMILES: C1=CC(=CC=C1C2=C(C=NN2)/C=C\3/C(=O)N(C(=N)S3)C4=NC=CS4)F
• PubChem CID: 1239801
• Molecular Weight: 371.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Fluorobenzenes Aryl fluorides Thiazolidines Thiazoles Heteroaromatic compounds Isothioureas Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazolidine - Thiazole - Isothiourea - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Imine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO and ethanol
• Molecular Weight: 371.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 371.031 Da
• Monoisotopic Mass: 371.031 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 581.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1