Adarotene - ≥98% , CAS No.496868-77-0

Name: Adarotene - ≥98% , CAS No.496868-77-0
Brand: Aladdin Scientific
SKU: A125540
Availability: InStock

CAS: 496868-77-0 Cat. No.: A125540 Molecular Weight: 374.47 EC Number: 111-065-0

1 Citations COA

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Adarotene - ≥98% CAS No(496868-77-0) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

(E)-3-(3''-Adamantan-1-yl-4''-hydroxy-biphenyl-4-yl)-acrylic acid | AS-74260 | 2-Propenoic acid, 3-(4'-hydroxy-3'-tricyclo(3.3.1.13,7)dec-1-yl(1,1'-biphenyl)-4-yl)-, (2E)- | SCHEMBL403528 | (2E)-3-(4'-Hydroxy-3'-tricyclo[3.3.1.13,7]dec-1-yl[1,1'-biphenyl]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product References Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Adarotene (ST1926) is an effective apoptosis inducer and surprisingly produced DNA damage.ST1926 exhibites a potent antiproliferative activity on a large panel of human tumor cells.

Specifications

Synonyms

(E)-3-(3''-Adamantan-1-yl-4''-hydroxy-biphenyl-4-yl)-acrylic acid | AS-74260 | 2-Propenoic acid, 3-(4'-hydroxy-3'-tricyclo(3.3.1.13, 7)dec-1-yl(1, 1'-biphenyl)-4-yl)-, (2E)- | SCHEMBL403528 | (2E)-3-(4'-Hydroxy-3'-tricyclo[3.3.1.13, 7]dec-1-yl[1, 1'-biphenyl]

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Adarotene is a novel orally available compound belonging to the class of synthetic atypical retinoids. These agents are attracting growing attention because of their unique mechanism of antitumor action that appears different from that of

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

ACTIVATOR

Purity

≥98%

Names and Identifiers

Canonical Smiles	C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)C=CC(=O)O)O
IUPAC Name	(E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid
InChIKey	QAWBIEIZDDIEMW-FPYGCLRLSA-N
INCHI	1S/C25H26O3/c26-23-7-6-21(20-4-1-16(2-5-20)3-8-24(27)28)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,26H,9-11,13-15H2,(H,27,28)/b8-3+
Isomeric SMILES	C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)/C=C/C(=O)O)O
Molecular Weight	374.47
Reaxy-Rn	36599353
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36599353&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Cyclohexylphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Cyclohexylphenols
Intermediate Tree Nodes	Not available
Direct Parent	Cyclohexylphenols
Alternative Parents	Cinnamic acids Biphenyls and derivatives Styrenes 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Cyclohexylphenol - Biphenyl - Cinnamic acid - Cinnamic acid or derivatives - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol group.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

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

PTPRCAP Tbio Protein tyrosine phosphatase receptor type C-associated protein (32 Activities)

Discover Target: PTPRCAP

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

DU-145 (51482 Activities)

Lot Number	Certificate Type	Date	Item
J1627083	Certificate of Analysis	Jan 05, 2026	A125540
J2529067	Certificate of Analysis	Nov 11, 2025	A125540
L2326048	Certificate of Analysis	Oct 11, 2025	A125540
A1819018	Certificate of Analysis	Jun 08, 2023	A125540
A1819017	Certificate of Analysis	Jun 08, 2023	A125540

Solubility	DMSO
Molecular Weight	374.500 g/mol
XLogP3	6.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	374.188 Da
Monoisotopic Mass	374.188 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	574.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1