Pyruvate dehydrogenase kinase (PDK) inhibitor (IC 50 = 9.5 µM). It has weak affinity for human CB 1 and CB 2 receptors, exhibiting 20% displacement of [3H]-CP55940 at a concentration of 10 µM.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Note

Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 6 months. 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

≥55%

Names and Identifiers

Pubchem Sid	504753815
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753815
Canonical Smiles	CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C
IUPAC Name	[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
InChIKey	JVVXZOOGOGPDRZ-SLFFLAALSA-N
INCHI	1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
Isomeric SMILES	CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C
Molecular Weight	285.48
Reaxy-Rn	2383194
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2383194&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Diterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Diterpenoids
Alternative Parents	Hydrophenanthrenes Tetralins Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Diterpenoid - Abietane diterpenoid - Phenanthrene - Hydrophenanthrene - Tetralin - Aralkylamine - Benzenoid - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
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)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	Date	Item
L2101060	Certificate of Analysis	Sep 19, 2025	D290943
L2101061	Certificate of Analysis	Sep 19, 2025	D290943
L2101062	Certificate of Analysis	Sep 19, 2025	D290943

Solubility	Chloroform, DMSO, Methanol
Specific Rotation[α]	45° (C=4,MeOH)
Melt Point(°C)	40 °C
Molecular Weight	285.500 g/mol
XLogP3	5.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	285.246 Da
Monoisotopic Mass	285.246 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	376.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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

1. Shiyu Wu, Yufu Yi, Shengliang Liao, Hongyan Si, Yuling Yang, Guorong Fan, Peng Wang. (2021) Synthesis and Shape-Selective Catalytic Application of Ordered Cubic Ia3̅d Supermicroporous Materials Templated by Rosin-Derived Quaternary Ammonium Salt with a Hydroxyl Radical in the Headgroup. LANGMUIR, [PMID:33397112] [10.1021/acs.langmuir.0c03356]
2. Xiaoyun Liu, Ruhong Zhang, Tianquan Li, Pengfei Zhu, Qixin Zhuang. (2017) Novel Fully Biobased Benzoxazines from Rosin: Synthesis and Properties. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.7b02650]

(+)-Dehydroabietylamine - ≥55% , CAS No.1446-61-3

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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