XCT 790 - Moligand™, 10mM in DMSO , Antagonist of Estrogen-related receptor-α, CAS No.725247-18-7, Antagonist of Estrogen-related receptor-α

Name: XCT 790 - Moligand™, 10mM in DMSO , Antagonist of Estrogen-related receptor-α, CAS No.725247-18-7, Antagonist of Estrogen-related receptor-α
SKU: X425676
Availability: InStock

CAS: 725247-18-7 Cat. No.: X425676 분자식: C₂₃H₁₃F₉N₄O₃S 분자량: 596.42 EC 번호: 635-221-7 PubChem CID: 6918788

COA

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XCT 790 - Moligand™, 10mM in DMSO CAS No(725247-18-7) by Aladdin Scientific

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주문 가능

GRADE & PURITY Moligand™ ? 10mM in DMSO

Synonyms

XCT790|725247-18-7|XCT 790|XCT-790|3-[4-(2,4-Bis-trifluoromethylbenzyloxy)-3-methoxyphenyl]-2-cyano-N-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)acrylamide|A4CE428LGJ|CHEMBL189753|796844-24-1|CHEBI:79999|(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

application：

XCT790 has been used:

as an estrogen-related receptor (ERR)α inverse agonist in C2C12 myotubes

as an estrogen-related receptor (ERR)α inverse agonist to elucidate decidualization functionality of ERRα in endometrial embryonic stem cells

as an autophagy inducer in human neuroblastoma SH-SY5Y and HeLa cell lines

Specifications

동의어

XCT790 | 725247-18-7 | XCT 790 | XCT-790 | 3-[4-(2,4-Bis-trifluoromethylbenzyloxy)-3-methoxyphenyl]-2-cyano-N-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)acrylamide | A4CE428LGJ | CHEMBL189753 | 796844-24-1 | CHEBI:79999 | (E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

Selective ERRαinverse agonist (IC50= ~400 nM). Displays no antagonist activity at ERRγor ERαat concentrations below 10μM. Interferes with PPARγcoactivator-1α(PGC-1α)/ERRα-dependent signaling: inhibits PGC-1αinduction of ERRαand MAO-B gene expression and d

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of Estrogen-related receptor-α

이름과 식별자

Pubchem Sid	528768491
정식 스마일	COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F
IUPAC Name	(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
InChIKey	HQFNFOOGGLSBBT-AWNIVKPZSA-N
INCHI	1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+
이성체 SMILES	COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F
PubChem CID	6918788
분자량	596.42

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - 분류 Cinnamic acids and derivatives
    - Subclass Cinnamic acid amides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
분류	Cinnamic acids and derivatives
Subclass	Cinnamic acid amides
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acid amides
Alternative Parents	Trifluoromethylbenzenes Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Cinnamic acid amide - Trifluoromethylbenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors	cinnamamides
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

3D 구조

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리뷰

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분자량	596.400 g/mol
XLogP3	6.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Exact Mass	596.056 Da
Monoisotopic Mass	596.056 Da
Topological Polar Surface Area	125.000 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	966.000
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