CTPB - ≥98% , CAS No.586976-24-1

CAS: 586976-24-1 Cat. No.: C275156 Molecular Weight: 554.13

GRADE & PURITY ≥98%

Synonyms

n-(4-chloro-3-trifluoromethyl-phenyl)-2-ethoxy-6-pentadecyl-benzamide

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Description - Chinese: CTPB is an effective p300 histone acetyltransferase (HAT) activator that can be used to prepare hair growth promoters and/or hair loss treatments.

Specifications

Synonyms

n-(4-chloro-3-trifluoromethyl-phenyl)-2-ethoxy-6-pentadecyl-benzamide

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Small-molecule p300 histone acetyltransferase (HAT) activator. Benzamide. Active in vitro and in vivo .

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

ACTIVATOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
• IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-pentadecylbenzamide
• InChIKey: OYBMVMAXKOGYDC-UHFFFAOYSA-N
• INCHI: 1S/C31H43ClF3NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-24-19-17-20-28(38-4-2)29(24)30(37)36-25-21-22-27(32)26(23-25)31(33,34)35/h17,19-23H,3-16,18H2,1-2H3,(H,36,37)
• Isomeric SMILES: CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
• Molecular Weight: 554.13
• Reaxy-Rn: 12644409
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12644409&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Trifluoromethylbenzenes Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Secondary carboxylic acid amides Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organopnictogen compound - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol to 100mM and in DMSO to 100 mM
• Molecular Weight: 554.100 g/mol
• XLogP3: 12.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 18
• Exact Mass: 553.293 Da
• Monoisotopic Mass: 553.293 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 633.000
• 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