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

CAS: 1446-61-3 Cat. No.: D290943 Summenformel: C₂₀H₃₁N Molekulargewicht: 285.48 EG-Nummer: 215-899-7

GRADE & PURITY ≥55%

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

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥55%

Biochemische und physiologische Mechanismen

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Hinweis

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.

Reinheit

≥55%

Namen und Kennungen

• Pubchem Sid: 504753815
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753815
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C
• Molekulargewicht: 285.48
• Reaxy-Rn: 2383194
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2383194&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Data sources

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

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APP Tclin Amyloid-beta A4 protein (8510 Activities)

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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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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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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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform, DMSO, Methanol
• Spezifische Drehung [α]: 45° (C=4,MeOH)
• Schmelzpunkt (°C): 40 °C
• Molekulargewicht: 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

Referenzen

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]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥55% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1446-61-3, the molecular formula is C20H31N, and the molecular weight is 285.48 g/mol. InChIKey JVVXZOOGOGPDRZ-SLFFLAALSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.