Berbamine - ≥98% , CAS No.478-61-5

CAS: 478-61-5 Cat. No.: B414342 分子式: C₃₇H₄₀N₂O₆ 分子量: 608.72

GRADE & PURITY ≥98%

Synonyms

Berbaman-12-ol,6',7-trimethoxy-2,2'-dimethyl- | NCI60_003398 | BERBAMINE, (+)- | 2-27-00-00891 (Beilstein Handbook Reference) | NSC-369310 | NCGC00142548-01 | CHEBI:3063 | CCG-270219 | NCGC00017375-02 | V5KM4XJ0WM | BERBAMINE | SR-05000002322 | 16h-1,24:6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Berbamine Berbamine (BA), a traditional Chinese medicines extracted from Berberis amurensis (xiaoboan), is a novel inhibitor of bcr/abl fusion gene with potent anti-leukemia activity and also an inhibitor of NF-κB . Berbamine (BA) induces apoptosis in human myeloma cells and inhibits the growth of cancer cells by targeting Ca²⁺/calmodulin-dependent protein kinase II (CaMKII) .

Targets

Bcr-Abl ; NF-κB ; CaMKII

Specifications

同義語

Berbaman-12-ol,6',7-trimethoxy-2,2'-dimethyl- | NCI60_003398 | BERBAMINE, (+)- | 2-27-00-00891 (Beilstein Handbook Reference) | NSC-369310 | NCGC00142548-01 | CHEBI:3063 | CCG-270219 | NCGC00017375-02 | V5KM4XJ0WM | BERBAMINE | SR-05000002322 | 16h-1,24:6

仕様と純度

≥98%

生化学的・生理学的メカニズム

Berbamine (BA), a traditional Chinese medicines extracted from Berberis amurensis (xiaoboan), is a novel inhibitor of bcr/abl fusion gene with potent anti-leukemia activity and also an inhibitor of NF-κB. Berbamine (BA) induces apoptosis in human myeloma

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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%

製品の性質

• ALogP: 6.992
• hba_count: 5
• HBD数: 1
• 回転可能な結合: 3

名前と識別子

• パブケム・シド: 504758259
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504758259
• カノニカル・スマイル: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
• IUPAC Name: (1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol
• InChIKey: DFOCUWZXJBAUSQ-URLMMPGGSA-N
• INCHI: 1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
• 異性体SMILES: CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
• 分子量: 608.72
• Reaxy-Rn: 78902
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=78902&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• 分類: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lignans, neolignans and related compounds
• Alternative Parents: Diarylethers Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Oxyneolignan skeleton - Diaryl ether - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
• External Descriptors: Isoquinoline alkaloids

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）

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

PDE1A Tclin Phosphodiesterase 1A (251 Activities)

Discover Target: PDE1A

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

K562 (73714 Activities)

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

U-937 (7138 Activities)

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

HepG2 (196354 Activities)

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KB (17409 Activities)

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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）

PREP Prolyl endopeptidase (14 Activities)

Discover Target: PREP

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

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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

Entamoeba histolytica (2676 Activities)

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

Plasmodium falciparum (966862 Activities)

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Vero (26788 Activities)

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Chrm1 Muscarinic acetylcholine receptor (3770 Activities)

Discover Target: Chrm1

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

• 溶解度: Solubility (25°C) In vitro DMSO: 100 mg/mL (164.27 mM)
• DMSO（mg / mL） 最大溶解度: 100
• DMSO（mM） 最大溶解度: 164.278252532801
• 分子量: 608.700 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 608.289 Da
• Monoisotopic Mass: 608.289 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 963.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

参考文献

1. Pan Wu, Yaru Fang, Kezhou Chen, Mi Wu, Wenchang Zhang, Shiyu Wang, Dongwen Liu, Junqing Gao, Huaiguo Li, Jianhua Lv, Yan Zhao.  (2023)  Study of double network hydrogels based on sodium methacrylate alginate and carboxymethyl chitosan.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112137]

2. Heng Zhang, Yizheng Zhou, Hanmo Yang, Xinyi Tao, Yinping Chen, Fuqiang Dong, Yi Sun.  (2025)  In vitro interactions of berbamine hydrochloride and azoles against Aspergillus fumigatus.  Microbiology Spectrum,      [PMID:40162754] [10.1128/spectrum.03184-24]

3. Hui Wang, Mingyu Wang, Jinku Zhang, Di Wu, Zhezhe Qi, Xinbei Dong, Xing Zhang, Hongyuan Yan, Yehong Han.  (2025)  Green synthesis of a urea–melamine–hexamethylenetetramine resin for efficient extraction and determination of berberine hydrochloride in Pudilan antiphlogistic oral liquid.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40652811] [10.1016/j.chroma.2025.466196]

4. Xinru Wang, Jie Zhang, Jinyu Shan, Dong Yang, Jie Yang, Guangming Tian, Yunzhi Dang, Jianhua Ma.  (2025)  Polypyrrole-Modified Triple-Responsive Hydrogel Dressing Based on Bacterial Cellulose and Quaternary Ammonium Chitosan and Its Synergistic Antibacterial Mechanism.  ACS Applied Materials & Interfaces,      [PMID:40890037] [10.1021/acsami.5c12061]

5. Xinru Wang, Jinyu Shan, Jie Zhang, Dong Yang, Guangming Tian, Yunzhi Dang, Jianhua Ma.  (2025)  Synergistic thermoresponsive and photothermal antimicrobial dressing based on bacterial cellulose with surface-grafted PNIPAM and PDA-coated silver nanoparticles for chronic wound treatment.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.138357]

6. Mengyuan Li, Jiaming Ge, Jingwen Yao, Yuanhao Zhang, Lin Ma, Zheng Li, Xiangli Han, Ming Liu, Fei Tian, Jing Zhao.  (2025)  Multifunctional nanoplatform based on polyethylene glycol-folic acid modified UiO-66 (Zr) as drug delivery platform for enhanced therapy of cancer.  Biofabrication,  17  (3): (035012).  [PMID:40378851] [10.1088/1758-5090/add9d2]

7. Xue-Na Li, Ya-Ping Lin, Xi-Xi Ma, Yue-Fei Fang, Hui Wang, Chun-Hui Cui, Chen Zhang, Jin-You Piao, Jee-Heon Jeong, Xian Wu Cheng, Lei Xing, Hu-Lin Jiang.  (2025)  Pulmonary-Targeted Nanoparticles Interrupt the Malignant Mechanical and Biochemical Signaling Crosstalk for Idiopathic Pulmonary Fibrosis Therapy.  Advanced Science,      [PMID:41246879] [10.1002/advs.202512658]

8. Chunling Yuan, Li Zheng, Hongxia Hu, Xue Cheng, Peng Liu.  (2026)  Berbamine improves behavioral impairments in Huntington's disease mice models through inhibiting Src/AKT1/NFκB signaling pathway and attenuating Src-mediated mitophagy suppression.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:42407179] [10.1016/j.intimp.2026.117092]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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.

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

The CAS Number is 478-61-5, the molecular formula is C37H40N2O6, and the molecular weight is 608.72 g/mol. InChIKey DFOCUWZXJBAUSQ-URLMMPGGSA-N.