FPH1 (BRD-6125) - 10mM in DMSO , CAS No.708219-39-0

CAS: 708219-39-0 Cat. No.: F425620 Molecular Weight: 388.81 EC Number: 806-114-4

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS000376622 | CCG-268509 | AC-36148 | BRD6125 | BRD-6125 | SW220075-1 | FPH-1(BRD6125) | 2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide | s7451 | N~2~-(5-chloro-2-methylphenyl)-N-(2,6-difluorophenyl)-N~2~-(methylsulfony

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

FPH1 (BRD-6125) is a small molecule, which promotes expansion of iPS-derived hepatocytes.

Specifications

Synonyms

AKOS000376622 | CCG-268509 | AC-36148 | BRD6125 | BRD-6125 | SW220075-1 | FPH-1(BRD6125) | 2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2, 6-difluorophenyl)acetamide | s7451 | N~2~-(5-chloro-2-methylphenyl)-N-(2, 6-difluorophenyl)-N~2~-(methylsulfony

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Names and Identifiers

• Canonical Smiles: CC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=C(C=CC=C2F)F)S(=O)(=O)C
• IUPAC Name: 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
• InChIKey: WAOBCCBUTHNTFO-UHFFFAOYSA-N
• INCHI: 1S/C16H15ClF2N2O3S/c1-10-6-7-11(17)8-14(10)21(25(2,23)24)9-15(22)20-16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)
• Isomeric SMILES: CC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=C(C=CC=C2F)F)S(=O)(=O)C
• Molecular Weight: 388.81
• Reaxy-Rn: 29246424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29246424&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Alpha amino acids and derivatives Anilides N-arylamides Toluenes Chlorobenzenes Fluorobenzenes Organosulfonamides Aryl chlorides Aryl fluorides Organic sulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Organofluorides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Sulfanilide - Anilide - N-arylamide - Chlorobenzene - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Organosulfonic acid amide - Organic sulfonic acid amide - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 388.800 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 388.046 Da
• Monoisotopic Mass: 388.046 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 562.000
• 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