CID44216842 - 10mM in DMSO , CAS No.1222513-26-9

CAS: 1222513-26-9 Cat. No.: C420958 Summenformel: C₂₂H₂₀BrN₃O₃S Molekulargewicht: 486.38 EG-Nummer: 808-446-5

GRADE & PURITY 10mM in DMSO

Synonyms

SCHEMBL18827580 | AKOS040759577 | KUC103479N | F81711 | HY-136379 | s6000 | CID44216842 | KSC-221-15 | 4-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide | cid_44216842 | 4-[5-(4-bromophenyl)-3-(3-methoxyphenyl)-2-pyrazoli

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

CID44216842 (Cdc42-IN-1) is a potentCdc42-selective guanine nucleotide binding lead inhibitor with EC50s of 1.0 μM and 1.2 μM for Cdc42WTand Cdc42Q61Lmutant in GTP binding assay, respectively.

Specifications

Synonyme

SCHEMBL18827580 | AKOS040759577 | KUC103479N | F81711 | HY-136379 | s6000 | CID44216842 | KSC-221-15 | 4-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide | cid_44216842 | 4-[5-(4-bromophenyl)-3-(3-methoxyphenyl)-2-pyrazoli

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

CID44216842 (Cdc42-IN-1) is a potent Cdc42-selective guanine nucleotide binding lead inhibitor with EC50s of 1.0 μM and 1.2 μM for Cdc42^WT and Cdc42^Q61L mutant in GTP binding assay, respectively.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

• Pubchem Sid: 528763741
• Kanonisches Lächeln: COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)S(=O)(=O)N
• IUPAC Name: 4-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
• InChIKey: LPUYDLXQQMWRLR-UHFFFAOYSA-N
• INCHI: 1S/C22H20BrN3O3S/c1-29-19-4-2-3-16(13-19)21-14-22(15-5-7-17(23)8-6-15)26(25-21)18-9-11-20(12-10-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
• Isomere SMILES: COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)S(=O)(=O)N
• WGK Deutschland: 3
• Molekulargewicht: 486.38
• Reaxy-Rn: 26538831
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26538831&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Organosulfonamides Aryl bromides Pyrazolines Aminosulfonyl compounds Hydrazones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Alkyl aryl ether - Bromobenzene - Organosulfonic acid amide - Aryl bromide - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazoline - Azacycle - Organoheterocyclic compound - Ether - Hydrazone - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 486.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 485.041 Da
• Monoisotopic Mass: 485.041 Da
• Topological Polar Surface Area: 93.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 710.000
• 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