SR-4370 - ≥99% , CAS No.1816294-67-3

CAS: 1816294-67-3 Cat. No.: S412770 Formula: C₁₇H₁₈F₂N₂O  Molecular Weight: 304.33 PubChem CID: 118418385

GRADE & PURITY ≥99%

Synonyms

N'-butyl-2',3'-difluoro-[1,1'-biphenyl]-4-carbohydrazide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

SR-4370 is a potent and selective inhibitor of class I HDACs with IC50 of 0.13 µM, 0.58 µM, 0.006 µM, 2.3 µM, 3.7 µM forHDAC 1,HDAC 2,HDAC 3,HDAC 8,HDAC 6, respectively.SR-4370 suppresses AR signaling and in vivo prostate tumor growth.

Targets

HDAC3 (Cell-free assay); HDAC1 (Cell-free assay); HDAC2 (Cell-free assay); HDAC8 (Cell-free assay); HDAC6 (Cell-free assay) ;0.006 μM; 0.13 μM; 0.58 μM; 2.3 μM; 3.7 μM

In vitro

SR-4370 can induce cell death of the aggressive breast cancer MDAMB-231 cells with IC50 of 12.6 μM..

Cell Research(from reference)

Cell lines：MDA-MB-231 cells 

Concentrations：0-100 μM 

Specifications

Synonyms

N'-butyl-2',3'-difluoro-[1,1'-biphenyl]-4-carbohydrazide

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

SR-4370 is a potent and selective inhibitor of class I HDACs with IC50 of 0.13 µM, 0.58 µM, 0.006 µM, 2.3 µM, 3.7 µM for HDAC 1, HDAC 2, HDAC 3, HDAC 8, HDAC 6, respectively.SR-4370 suppresses AR signaling and in vivo prostate tumor growth.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥99%

Product Properties

ALogP

3.804

HBD Count

2

Rotatable Bond

6

Names and Identifiers

Pubchem Sid

504772865

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772865

Canonical Smiles

CCCCNNC(=O)C1=CC=C(C=C1)C2=C(C(=CC=C2)F)F

IUPAC Name

N'-butyl-4-(2,3-difluorophenyl)benzohydrazide

InChIKey

OSQKWTZHYXRTBG-UHFFFAOYSA-N

INCHI

1S/C17H18F2N2O/c1-2-3-11-20-21-17(22)13-9-7-12(8-10-13)14-5-4-6-15(18)16(14)19/h4-10,20H,2-3,11H2,1H3,(H,21,22)

Isomeric SMILES

CCCCNNC(=O)C1=CC=C(C=C1)C2=C(C(=CC=C2)F)F

PubChem CID

118418385

Molecular Weight

304.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Fluorobenzenes Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 61 mg/mL (200.44 mM); Ethanol: 61 mg/mL (200.44 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 61
• DMSO(mM) Max Solubility: 200.44031150396
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 304.330 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 304.139 Da
• Monoisotopic Mass: 304.139 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 346.000
• 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