SMIFH2 Formin FH2 Domain Inhibitor - ≥98% , CAS No.340316-62-3

CAS: 340316-62-3 Cat. No.: S276122 Molecular Weight: 377.21 EC Number: 694-670-7 PubChem CID: 2258538

GRADE & PURITY ≥98%

Synonyms

AKOS001651888 | 1-(3-Bromophenyl)-5-(2-furanylmethylene)dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione | BIM-0040107.P001 | AKOS040745366 | (5E)-1-(3-bromophenyl)-5-(furan-2-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione | SMIFH2 | (5E)-1-(3-BROMO

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS001651888 | 1-(3-Bromophenyl)-5-(2-furanylmethylene)dihydro-2-thioxo-4, 6(1H, 5H)-pyrimidinedione | BIM-0040107.P001 | AKOS040745366 | (5E)-1-(3-bromophenyl)-5-(furan-2-ylmethylidene)-2-thioxodihydropyrimidine-4, 6(1H, 5H)-dione | SMIFH2 | (5E)-1-(3-BROMO

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Cell-permeable inhibitor of formin homology 2 (FH2) domains. Prevents formin-mediated actin nucleation (IC 50 = ~15 µM) and processive barbed end elongation. Decreases\xa0the affinity of formin for the actin filament barbed end.

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.

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. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760709
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760709
• Canonical Smiles: C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CC=CO3)C(=O)NC2=S
• IUPAC Name: (5E)-1-(3-bromophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
• InChIKey: MVFJHEQDISFYIS-XYOKQWHBSA-N
• INCHI: 1S/C15H9BrN2O3S/c16-9-3-1-4-10(7-9)18-14(20)12(13(19)17-15(18)22)8-11-5-2-6-21-11/h1-8H,(H,17,19,22)/b12-8+
• Isomeric SMILES: C1=CC(=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=CO3)/C(=O)NC2=S
• WGK Germany: 3
• PubChem CID: 2258538
• Molecular Weight: 377.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Thiobarbituric acid derivatives Bromobenzenes Aryl bromides Diazinanes Heteroaromatic compounds Furans Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylthiourea - Thiobarbiturate - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,3-diazinane - Furan - Heteroaromatic compound - Thiourea - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM
• Molecular Weight: 377.200 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 375.952 Da
• Monoisotopic Mass: 375.952 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 537.000
• 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