Trifarotene - ≥98% , CAS No.895542-09-3

CAS: 895542-09-3 Cat. No.: T646489 Formule: C₂₉H₃₃NO₄ Poids moléculaire: 459.6 Numéro CE: 842-317-4 PubChem CID: 11518241

QUALITÉ & PURETÉ ≥98%

Synonyms

DTXCID80160272 | Trifarotene | BDBM50457548 | (1,1':3',1''-TERPHENYL)-4-CARBOXYLIC ACID, 3''-(1,1-DIMETHYLETHYL)-4'-(2-HYDROXYETHOXY)-4''-(1-PYRROLIDINYL)- | EX-A2704 | Q27236856 | D10AD06 | GS-3516 | PB48016 | Trifarotene [USAN:INN] | 4-[3-(3-tert-butyl-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Trifarotene (CD5789) is a potent and selective RARγ agonist. Trifarotene (CD5789) shows ∼65-fold and ∼16-fold selectivitiy for the RARγ ( EC 50 =7.7 nM) over RARα ( EC 50 =500 nM) and RARβ ( EC 50 =125 nM), respectively.

In Vitro

Trifarotene (CD5789) (3.3 μL 0.33 cm 2 ; 24 hours) involves in keratinization, desquamation, cornification and cell adhesion in reconstructed human epidermis (RHE). The mean EC 50 on the combined target genes is 0.0048% for Trifarotene. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Trifarotene (0.001%-0.01% in a cream at 25 mg/mouse) shows dose-dependent comedolytic activity, being fully efficacious at 0.01% (98% reduction). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Rhino miceDosage: 0.001%, 0.0025%, 0.005% and 0.01% in a cream at 25 mg/mouse (5 cm 2 surface on the back skin on a 5 mg/cm 2 basis) Administration: Topical application; once a day; 11 days Result: Increased the epidermis thickness by 275% (66 μm) and the transepidermal water\nloss (TEWL) by 285% (26 g/h/m 2 ).

Form:Solid

Spécifications

Synonymes

DTXCID80160272 | Trifarotene | BDBM50457548 | (1,1':3',1''-TERPHENYL)-4-CARBOXYLIC ACID, 3''-(1,1-DIMETHYLETHYL)-4'-(2-HYDROXYETHOXY)-4''-(1-PYRROLIDINYL)- | EX-A2704 | Q27236856 | D10AD06 | GS-3516 | PB48016 | Trifarotene [USAN:INN] | 4-[3-(3-tert-butyl-

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Trifarotene (CD5789) is a potent and selective RARγ agonist. Trifarotene (CD5789) shows ∼65-fold and ∼16-fold selectivitiy for the RARγ ( EC 50 =7.7 nM) over RARα ( EC 50 =500 nM) and RARβ ( EC 50 =125 nM), respectively.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

ALogP

6.3

Noms et identifiants

Sourires canoniques

CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N4CCCC4

IUPAC Name

4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid

InChIKey

MFBCDACCJCDGBA-UHFFFAOYSA-N

INCHI

1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)

Isomères SMILES

CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N4CCCC4

CAS alternatif

895542-09-3

PubChem CID

11518241

Termes d'entrée MeSH

Aklief;CD5789;trifarotene

Poids moléculaire

459.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Terphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: M-terphenyls
• Alternative Parents: Biphenyls and derivatives Phenylpyrrolidines Benzoic acids Phenylpropanes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrroles Amino acids Carboxylic acids Azacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Meta-terphenyl - Biphenyl - 1-phenylpyrrolidine - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Phenoxy compound - Tertiary aliphatic/aromatic amine - Phenol ether - Alkyl aryl ether - Pyrrolidine - Pyrrole - Amino acid - Amino acid or derivatives - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carboxylic acid - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Alcohol - Amine - Hydrocarbon derivative - Primary alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
• 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

Cibles associées (humaines)

RARG Tclin Retinoic acid receptor gamma (3 Activities)

Discover Target: RARG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RARB Tclin Retinoic acid receptor beta (2 Activities)

Discover Target: RARB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RARA Tclin Retinoic acid receptor alpha (0 Activities)

Discover Target: RARA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RARA Tclin Retinoic acid receptor alpha (1324 Activities)

Discover Target: RARA

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

RARG Tclin Retinoic acid receptor gamma (1154 Activities)

Discover Target: RARG

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

RARB Tclin Retinoic acid receptor beta (1232 Activities)

Discover Target: RARB

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 250 mg/mL (543.97 mM; Need ultrasonic)
• Poids moléculaire: 459.600 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 459.241 Da
• Monoisotopic Mass: 459.241 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 647.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 895542-09-3, the molecular formula is C29H33NO4, and the molecular weight is 459.6 g/mol. InChIKey MFBCDACCJCDGBA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.