Rhapontigenin - 10mM in DMSO , CAS No.500-65-2

CAS: 500-65-2 Cat. No.: R424313 분자식: C₁₅H₁₄O₄ 분자량: 258.27 PubChem CID: 5320954

GRADE & PURITY 10mM in DMSO

Synonyms

AS-68092 | Forst U 46 | HMS3266N10 | (E)-5-(3-Hydroxy-4-methoxystyryl)benzene-1,3-diol | 22BG4NNH6W | AKOS037515600 | Rhapontin genin | Umdipyridyl | 5-((1E)-2-(3-HYDROXY-4-METHOXYPHENYL)ETHENYL)-1,3-BENZENEDIOL | MFCD00017718 | s9163 | SCHEMBL1486816 | D

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1 inactivator (IC50  = 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively

Specifications

동의어

AS-68092 | Forst U 46 | HMS3266N10 | (E)-5-(3-Hydroxy-4-methoxystyryl)benzene-1,3-diol | 22BG4NNH6W | AKOS037515600 | Rhapontin genin | Umdipyridyl | 5-((1E)-2-(3-HYDROXY-4-METHOXYPHENYL)ETHENYL)-1,3-BENZENEDIOL | MFCD00017718 | s9163 | SCHEMBL1486816 | D

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Potent, selective cytochrome P450 1A1 inhibitor (IC 50 = 400 nM). Various pharmacological activities including anticancer, antioxidant, antifungal and antibacterial .

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528769283
• 정식 스마일: COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)O)O)O
• IUPAC Name: 5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol
• InChIKey: PHMHDRYYFAYWEG-NSCUHMNNSA-N
• INCHI: 1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
• 이성체 SMILES: COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O)O
• PubChem CID: 5320954
• 분자량: 258.27
• Reaxy-Rn: 2619492

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Methoxyphenols Styrenes Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Resorcinol - Styrene - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

관련 대상(인간)

MGAM Tclin Maltase-glucoamylase (654 Activities)

Discover Target: MGAM

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

HL-60 (67320 Activities)

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

MDA-MB-231 (73002 Activities)

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

관련 대상(비인간)

Mus musculus (284745 Activities)

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

J774 (3120 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive ;Air sensitive ;Heat sensitive
• 녹는점(°C): 191 °C
• 분자량: 258.269 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 258.089 Da
• Monoisotopic Mass: 258.089 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Yunqiu Chen, Jiayun Ying, Zhiyao Li, Zhen Ning Tony He, Jiani Zhan, Heng Liang, Yuying Liu, Yijia Chen, Xuewen Li, Ting Zhu, Chunxiang Kuang, Guoping Lu, Qing Yang.  (2025)  IDO1 inhibitors block septic cytokine storm by suppressing the IDO1-AHR-CYP1A1 axis.  BIOMEDICINE & PHARMACOTHERAPY,      [PMID:40245547] [10.1016/j.biopha.2025.118054]