Allomatrine - ≥98%(HPLC) , CAS No.641-39-4

CAS: 641-39-4 Cat. No.: A304257 分子式: C₁₅H₂₄N₂O 分子量: 248.36

GRADE & PURITY ≥98%(HPLC)

Synonyms

MS-23520 | (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one | (+)-allomatrine | AKOS040759060 | Allomatrine | (7aS,13aR,13bR,13cR)-Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one | HY-N0050 | (1R,2R,9S,17R)-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

MS-23520 | (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one | (+)-allomatrine | AKOS040759060 | Allomatrine | (7aS,13aR,13bR,13cR)-Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one | HY-N0050 | (1R,2R,9S,17R)-

仕様と純度

≥98%(HPLC)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

504764474

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504764474

カノニカル・スマイル

C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1

IUPAC Name

(1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

InChIKey

ZSBXGIUJOOQZMP-KYEXWDHISA-N

INCHI

1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15+/m0/s1

異性体SMILES

C1C[C@@H]2[C@H]3CCCN4[C@@H]3[C@@H](CCC4)CN2C(=O)C1

分子量

248.36

Reaxy-Rn

102206

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 分類 Lupin alkaloids
      • Subclass Matrine alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 分類: Lupin alkaloids
• Subclass: Matrine alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Matrine alkaloids
• Alternative Parents: Quinolizidinones Naphthyridines Piperidinones Delta lactams Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Matrine - Quinolizidinone - Naphthyridine - Quinolizidine - Delta-lactam - Piperidinone - Piperidine - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as matrine alkaloids. These are lupin alkaloids with a structure based on the matrine skeleton, a four-ring skeleton that based on a saturated dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one skeleton.
• 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

関連ターゲット（人間）

HepG2 (196354 Activities)

Explore this target

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

関連ターゲット（非人間）

Hepatitis B virus (7925 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 248.360 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 248.189 Da
• Monoisotopic Mass: 248.189 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 356.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

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

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 641-39-4, the molecular formula is C15H24N2O, and the molecular weight is 248.36 g/mol. InChIKey ZSBXGIUJOOQZMP-KYEXWDHISA-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.