ATM-3507 - Moligand™, ≥98% , CAS No.1861449-70-8

CAS: 1861449-70-8 Cat. No.: A650444 Fórmula: C₃₇H₄₆FN₅O₂ Peso molecular: 611.79 PubChem CID: 118666864

GRADE & PURITY Moligand™, ≥98%

Synonyms

MC4FSR36T2 | NSC824722 | NSC-824722 | AKOS032960473 | ATM-3507 | Methanone, (3-((2,3-dimethyl-1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-5-yl)oxy)phenyl)(4-(2-(4-fluorophenyl)ethyl)-1-piperazinyl)- | (3-((2,3-Dimethyl-1-(3-(4-methylpiperazin-1-yl)propy

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

ATM-3507 is a potent tropomyosin inhibitor with IC 50 s from 3.83-6.84 μM in human melanoma cell lines.

Specifications

Sinónimos

MC4FSR36T2 | NSC824722 | NSC-824722 | AKOS032960473 | ATM-3507 | Methanone, (3-((2,3-dimethyl-1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-5-yl)oxy)phenyl)(4-(2-(4-fluorophenyl)ethyl)-1-piperazinyl)- | (3-((2,3-Dimethyl-1-(3-(4-methylpiperazin-1-yl)propy

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

ATM-3507 is a potent tropomyosin inhibitor with IC 50 s from 3.83-6.84 μM in human melanoma cell lines.

Condiciones de almacenamiento de almacenamiento

Protected from light,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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC1=C(N(C2=C1C=C(C=C2)OC3=CC=CC(=C3)C(=O)N4CCN(CC4)CCC5=CC=C(C=C5)F)CCCN6CCN(CC6)C)C

IUPAC Name

[3-[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]oxyphenyl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone

InChIKey

FNEHSJQRIWHZKS-UHFFFAOYSA-N

INCHI

1S/C37H46FN5O2/c1-28-29(2)43(16-5-15-40-20-18-39(3)19-21-40)36-13-12-34(27-35(28)36)45-33-7-4-6-31(26-33)37(44)42-24-22-41(23-25-42)17-14-30-8-10-32(38)11-9-30/h4,6-13,26-27H,5,14-25H2,1-3H3

Isómeros SMILES

CC1=C(N(C2=C1C=C(C=C2)OC3=CC=CC(=C3)C(=O)N4CCN(CC4)CCC5=CC=C(C=C5)F)CCCN6CCN(CC6)C)C

CAS alternativo

1861449-70-8

PubChem CID

118666864

Peso molecular

611.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles
        • Level5 3-alkylindoles
          • Level6 3-methylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: 3-alkylindoles
• Direct Parent: 3-methylindoles
• Alternative Parents: N-alkylindoles Phenethylamines Benzamides Phenol ethers Benzoyl derivatives N-methylpiperazines Fluorobenzenes Substituted pyrroles N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-methylindole - N-alkylindole - Phenethylamine - Benzoic acid or derivatives - Benzamide - Phenol ether - Benzoyl - N-alkylpiperazine - N-methylpiperazine - Halobenzene - Fluorobenzene - Benzenoid - Substituted pyrrole - Piperazine - N-acyl-amine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 33.33 mg/mL (54.48 mM; Need ultrasonic)
• Sensibilidad: Light sensitive
• Peso molecular: 611.800 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 611.364 Da
• Monoisotopic Mass: 611.364 Da
• Topological Polar Surface Area: 44.200 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 916.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1