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

CAS: 1861449-70-8 Cat. No.: A650444 Formula: C₃₇H₄₆FN₅O₂ Peso molecolare: 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri 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 molecolare: 611.79

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: DMSO : 33.33 mg/mL (54.48 mM; Need ultrasonic)
• Sensibilità: Light sensitive
• Peso molecolare: 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