1,3-Diphenyl-2-propenone (chalcone) inhibits the proliferation of human breast cancer cell lines, MCF-7 and MDA-MB-231 by inducing apoptosis and blocking cell cycle progression in the G2/M phase. It is an inhibitor of Plasmodium falciparum cyclin-dependen

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。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

508813730

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508813730

カノニカル・スマイル

C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2

IUPAC Name

(E)-1,3-diphenylprop-2-en-1-one

InChIKey

DQFBYFPFKXHELB-VAWYXSNFSA-N

INCHI

1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+

異性体SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2

WGKドイツ

RTECS

FL6900000

分子量

208.26

Reaxy-Rn

509985

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509985&ln=

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詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - 分類 Linear 1,3-diarylpropanoids
    - Subclass Chalcones and dihydrochalcones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
分類	Linear 1,3-diarylpropanoids
Subclass	Chalcones and dihydrochalcones
Intermediate Tree Nodes	Not available
Direct Parent	Retrochalcones
Alternative Parents	Styrenes Benzoyl derivatives Aryl ketones Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Retrochalcone - Aryl ketone - Styrene - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors	chalcone
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

3 D構造

関連ターゲット（人間）

MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

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

TXNRD1 Tclin Thioredoxin reductase 1 (99 Activities)

Discover Target: TXNRD1

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

AMY2A Tclin Pancreatic alpha-amylase (74 Activities)

Discover Target: AMY2A

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

TNFRSF1A Tchem Tumor necrosis factor receptor R1 (157 Activities)

Discover Target: TNFRSF1A

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

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (435 Activities)

Discover Target: KCNMA1

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

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	日付	商品
K2222542	Certificate of Analysis	Sep 03, 2026	C153805
H2607293	Certificate of Analysis	Jul 24, 2026	C153805
H2607303	Certificate of Analysis	Jul 24, 2026	C153805
H2607305	Certificate of Analysis	Jul 24, 2026	C153805
A2623232	Certificate of Analysis	Jan 13, 2026	C153805
A2623233	Certificate of Analysis	Jan 13, 2026	C153805
A2623231	Certificate of Analysis	Jan 13, 2026	C153805
F2510554	Certificate of Analysis	May 29, 2025	C153805
F2510563	Certificate of Analysis	May 29, 2025	C153805
F2510565	Certificate of Analysis	May 29, 2025	C153805
F2129225	Certificate of Analysis	Apr 03, 2025	C153805
L2409055	Certificate of Analysis	Nov 30, 2024	C153805
L2409054	Certificate of Analysis	Nov 30, 2024	C153805
L2409053	Certificate of Analysis	Nov 30, 2024	C153805
L2402175	Certificate of Analysis	Nov 19, 2024	C153805
L2402177	Certificate of Analysis	Nov 19, 2024	C153805
J2415375	Certificate of Analysis	Jul 15, 2024	C153805
L2322276	Certificate of Analysis	Dec 13, 2023	C153805
L2322300	Certificate of Analysis	Dec 13, 2023	C153805
L2322301	Certificate of Analysis	Dec 13, 2023	C153805
L2322302	Certificate of Analysis	Dec 13, 2023	C153805
L2322303	Certificate of Analysis	Dec 13, 2023	C153805
G2326409	Certificate of Analysis	Jul 05, 2023	C153805
G2326394	Certificate of Analysis	Jul 05, 2023	C153805
G2326393	Certificate of Analysis	Jul 05, 2023	C153805
K2222541	Certificate of Analysis	Nov 04, 2022	C153805

溶解度	dioxane: soluble 1 g/10 mL, clear, colorless
引火点（°F）	235.4 °F
引火点（°C）	113 °C
沸点（°C）	348 °C
融点（°C）	55-59℃
分子量	208.250 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	208.089 Da
Monoisotopic Mass	208.089 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242.000
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

Chalcone - ≥98% , CAS No.94-41-7

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