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(+)-Dehydroabietylamine [Optical Resolving Agent] - >90.0%(GC), high purity , CAS No.1446-61-3

2 Citations COA COA
    Grade & Purity:
  • ≥90%(GC)
In stock
Item Number
D154779
Grouped product items
SKU Size
Availability
 Price Qty
D154779-5g
5g
3
$95.90
D154779-25g
25g
2
$284.90
D154779-100g
100g
3
$1,022.90
D154779-500g
500g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$4,601.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Pyruvate dehydrogenase kinase (PDK) inhibitor

View related series
asymmetric synthesis (590) Cannabinoid Receptor (79) Class A GPCR (4138) GPCR/G Protein (3172) Metabolic Enzyme/Protease (4860) Neuronal Signaling (3320) PDHK (17) terpenes (123)

Basic Description

Synonyms EPA Pesticide Chemical Code 004206 | 13-Isopropylpodocarpa-8,11,13-trien-15-amine | Amine D | ((1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine | Q15409408 | (+)-Dehydroabietylamine; >95% | Leelamine | W-10
Specifications & Purity ≥90%(GC)
Biochemical and Physiological Mechanisms 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.
Shipped In Normal
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.

Taxonomic Classification

Taxonomy Tree

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

Associated Targets(Human)

APP Tclin Amyloid-beta A4 protein (8510 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
5637 (630 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EJ (302 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SH-SY5Y (11521 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SW-1736 (356 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FaDu (1726 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A2780 (11979 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HUVEC (11049 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Jurkat (10389 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Leishmania donovani (89745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NIH3T3 (5395 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
L6 (7924 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488183548
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488183548
IUPAC Name [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
INCHI 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
InChIKey JVVXZOOGOGPDRZ-SLFFLAALSA-N
Smiles CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C
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=

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.

7 results found

Lot Number Certificate Type Date Item
C2320431 Certificate of Analysis Mar 24, 2023 D154779
F1806087 Certificate of Analysis Apr 25, 2022 D154779
K2404579 Certificate of Analysis Jun 19, 2021 D154779
C2331021 Certificate of Analysis Jun 19, 2021 D154779
I2418071 Certificate of Analysis Jun 19, 2021 D154779
F2328079 Certificate of Analysis Jun 19, 2021 D154779
F2328075 Certificate of Analysis Jun 19, 2021 D154779

Chemical and Physical Properties

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 Ų
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

Citations of This Product

How to Cite Aladdin Scientific Products?
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,  37  (2): (957–968). 
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,  5  (11): (10682–10692). 

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