CFM-4 - ≥96% , CAS No.331458-02-7

CAS: 331458-02-7 Cat. No.: C276254 Peso molecular: 405.9

GRADE & PURITY ≥96%

Synonyms

CFM 41-[(2-Chlorophenyl)methyl]-5'-phenyl-spiro[3H-indole-3,2'(3'H)-[1,3,4]thiadiazol]-2(1H)-one | CARP-1 mimetic | 1-(2-chlorobenzyl)-5'-phenyl-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-2-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Sinónimos

CFM 41-[(2-Chlorophenyl)methyl]-5'-phenyl-spiro[3H-indole-3, 2'(3'H)-[1, 3, 4]thiadiazol]-2(1H)-one | CARP-1 mimetic | 1-(2-chlorobenzyl)-5'-phenyl-3'H-spiro[indoline-3, 2'-[1, 3, 4]thiadiazol]-2-one

Especificaciones y pureza

≥96%

Mecanismos bioquímicos y fisiológicos

CARP-1 mimetic. Interferes with CARP-1 binding to APC-2. Enhances CARP-1 expression and induces G2/M cell cycle arrest. Shows antiproliferative effects in cancer cell lines.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

≥96%

Nombres e identificadores

• Pubchem Sid: 488194102
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194102
• Sonrisas canónicas: C1=CC=C(C=C1)C2=NNC3(S2)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl
• IUPAC Name: 1'-[(2-chlorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
• InChIKey: PMADITKBVODKSF-UHFFFAOYSA-N
• INCHI: 1S/C22H16ClN3OS/c23-18-12-6-4-10-16(18)14-26-19-13-7-5-11-17(19)22(21(26)27)25-24-20(28-22)15-8-2-1-3-9-15/h1-13,25H,14H2
• Isómeros SMILES: C1=CC=C(C=C1)C2=NNC3(S2)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl
• Peso molecular: 405.9
• Reaxy-Rn: 23443720
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23443720&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Indoles and derivatives Chlorobenzenes Aryl chlorides Thiadiazolines Tertiary carboxylic acid amides Lactams Hydrazones Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Indole or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiadiazoline - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Hydrazone - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 405.900 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 405.07 Da
• Monoisotopic Mass: 405.07 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 637.000
• 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