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Adapalene - 98%, high purity , CAS No.106685-40-9, Agonist of Retinoic acid receptor-αAgonist of Retinoic acid receptor-βAgonist of Retinoic acid receptor-γ

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 106685-40-9
Molecular Weight: 412.52
MDL number: MFCD03106112
PubChem CID: 60164
PubChem SID: 488183399

In stock

Item Number

A120006

Grouped product items
SKU	Size	Availability	Price
A120006-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
A120006-250mg	250mg	4	$121.90
A120006-1g	1g	4	$375.90
A120006-5g	5g	5	$1,688.90
A120006-25g	25g	2	$7,598.90

RARβ and RARγ agonist

View related series

Apoptosis (4276) Autophagy (1917) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) RAR/RXR (76) Retinoic acid receptor-α Agonist (11) Retinoic acid receptor-β Agonist (12) Retinoic acid receptor-γ Agonist (12) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	6-(4-Methoxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-2-naphthalenecarboxylic acid \| Adapaleno [INN-Spanish] \| CD271 \| CD-271 \| STL453114 \| UNII-1L4806J2QF \| Adaferin \| Adapaleno (INN-Spanish) \| AKOS015895391 \| Differine \| HMS3715H16 \| SR-01000942194 \| Tox21
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Retinoic acid analog that is a RARβand RARγagonist (AC50values are 2.2, 9.3, 22 and > 1000 nM for RARβ, RARγ, RARαand RXRαreceptors respectively). Inhibits proliferation and induces apoptosis in colorectal cancer cellin vitro. Displays comedolytic activit
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of Retinoic acid receptor-αAgonist of Retinoic acid receptor-βAgonist of Retinoic acid receptor-γ
Product Description	Adapalene is a dual RAR and RXR agonist, used in the treatment of acne. Adapalene, a retinoic acid analogue, is a RARβ and RARγ agonist. Adapalene inhibits proliferation and induces apoptosis in colorectal cancer cells in vitro. Adapalene gel is an efficacious treatment for acne vulgaris.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Retinoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Retinoids
Intermediate Tree Nodes	Not available
Direct Parent	Retinoids
Alternative Parents	Phenylnaphthalenes Naphthalenecarboxylic acids Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Adapalene - Phenylnaphthalene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Naphthalene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.
External Descriptors	monocarboxylic acid - adamantanes
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(Human)

RARG Tclin Retinoic acid receptor gamma (2 Activities)

Discover Target: RARG

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

RARB Tclin Retinoic acid receptor beta (4 Activities)

Discover Target: RARB

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

RARA Tclin Retinoic acid receptor alpha (2 Activities)

Discover Target: RARA

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

GLRA1 Tclin Glycine receptor subunit alpha-1 (1 Activities)

Discover Target: GLRA1

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

Names and Identifiers

Pubchem Sid	488183399
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183399
IUPAC Name	6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
INCHI	InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
InChIKey	LZCDAPDGXCYOEH-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
Isomeric SMILES	COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
RTECS	QJ1987000
Molecular Weight	412.52
Reaxy-Rn	7393980
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7393980&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

19 results found

Lot Number	Certificate Type	Date	Item
F2517270	Certificate of Analysis	Apr 26, 2024	A120006
F2517271	Certificate of Analysis	Apr 26, 2024	A120006
A2416116	Certificate of Analysis	Nov 22, 2023	A120006
A2416118	Certificate of Analysis	Nov 22, 2023	A120006
A2416114	Certificate of Analysis	Nov 22, 2023	A120006
A2416117	Certificate of Analysis	Nov 22, 2023	A120006
A2416119	Certificate of Analysis	Nov 22, 2023	A120006
A2416120	Certificate of Analysis	Nov 22, 2023	A120006
K1914155	Certificate of Analysis	Sep 08, 2023	A120006
J2109147	Certificate of Analysis	May 12, 2022	A120006
C2325024	Certificate of Analysis	Mar 07, 2022	A120006
D2226089	Certificate of Analysis	Mar 07, 2022	A120006
C2325023	Certificate of Analysis	Mar 07, 2022	A120006
D2226087	Certificate of Analysis	Mar 07, 2022	A120006
D2226088	Certificate of Analysis	Mar 07, 2022	A120006
C2301476	Certificate of Analysis	Mar 07, 2022	A120006
C2301488	Certificate of Analysis	Mar 07, 2022	A120006
C2301457	Certificate of Analysis	Mar 07, 2022	A120006
I2420069	Certificate of Analysis	Mar 07, 2022	A120006

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Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 10.31, Max Conc. mM: 25
Sensitivity	Moisture &Heat sensitive
Melt Point(°C)	301℃
Molecular Weight	412.500 g/mol
XLogP3	7.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	412.204 Da
Monoisotopic Mass	412.204 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	644.000
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

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