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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 | ≥55% |
| 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. |
| 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. |
| 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
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
| 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 |
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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 |
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Homo sapiens (32628 Activities)
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5637 (630 Activities)
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EJ (302 Activities)
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HT-29 (80576 Activities)
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MCF7 (126967 Activities)
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PC-3 (62116 Activities)
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SH-SY5Y (11521 Activities)
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SW-1736 (356 Activities)
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A549 (127892 Activities)
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FaDu (1726 Activities)
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HEK293 (82097 Activities)
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HepG2 (196354 Activities)
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A2780 (11979 Activities)
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HUVEC (11049 Activities)
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Jurkat (10389 Activities)
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HeLa (62764 Activities)
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MDA-MB-231 (73002 Activities)
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TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
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GMNN
Tbio
Geminin (128009 Activities)
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IDH1
Tclin
Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
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Associated Targets(non-human)
Hdac6
Histone deacetylase 6 (222 Activities)
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Leishmania donovani (89745 Activities)
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Trypanosoma cruzi (99888 Activities)
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Mus musculus (284745 Activities)
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NIH3T3 (5395 Activities)
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L6 (7924 Activities)
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Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504753815 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753815 |
| 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:
Chemical and Physical Properties
| 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 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
| 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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