FPH2 (BRD-9424) - 10mM in DMSO , CAS No.957485-64-2

CAS: 957485-64-2 Cat. No.: F427122 Molecular Weight: 353.83

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

FPH2 (BRD-9424) is a small molecule, which promotes differentiation of iPS-derived hepatocytes.

Specifications

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

FPH2 induces functional proliferation of hepatocytes in vitro, thereby expanding mature human primary hepatocytes.

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

MODULATOR

Names and Identifiers

• Canonical Smiles: CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)OC
• IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide
• InChIKey: PCHRYHSDDPPZBV-UHFFFAOYSA-N
• INCHI: 1S/C14H16ClN5O2S/c1-3-20-7-10(12(19-20)13(16)21)18-14(23)17-9-6-8(15)4-5-11(9)22-2/h4-7H,3H2,1-2H3,(H2,16,21)(H2,17,18,23)
• Isomeric SMILES: CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)OC
• WGK Germany: 3
• Molecular Weight: 353.83
• Reaxy-Rn: 29246423
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29246423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Methoxyanilines Pyrazole-5-carboxamides Phenoxy compounds 2-heteroaryl carboxamides Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Thioureas Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylthiourea - Methoxyaniline - 2-heteroaryl carboxamide - Anisole - Phenoxy compound - Phenol ether - Pyrazole-5-carboxamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Thiourea - Primary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea 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

Chemical and Physical Properties

• Molecular Weight: 353.800 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 353.071 Da
• Monoisotopic Mass: 353.071 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 441.000
• 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