BCI - ≥99% , CAS No.1245792-51-1

CAS: 1245792-51-1 Cat. No.: B412799 분자식: C22H23NO 분자량: 317.42
주문 가능
GRADE & PURITY ≥99%
Synonyms
(E)-BCI
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
1mg
B412799-1mg
주문제작 · 8~12주
US$57.90
5mg
B412799-5mg
2 재고 있음
—
US$203.90
25mg
B412799-25mg
2 재고 있음
—
US$563.90
50mg
B412799-50mg
2 재고 있음
—
US$939.90
100mg
B412799-100mg
2 재고 있음
—
US$1,566.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Information

BCI BCI ((E)-BCI, compound 1) is an allosteric dual specificity phosphatase (DUSP) inhibitor with EC50 of 13.3 μM and 8.0 μM in cells for DUSP6 and DUSP1, respectively.


Targets

DUSP1 (Cell-free assay); DUSP6 (Cell-free assay) 8.0 μM(EC50); 13.3 μM(EC50)

Specifications

동의어
(E)-BCI
사양 및 순도
≥99%
생화학 및 생리적 메커니즘
BCI ((E)-BCI, compound 1) is an allosteric dual specificity phosphatase (DUSP) inhibitor with EC50 of 13.3 μM and 8.0 μM in cells for DUSP6 and DUSP1, respectively.
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥99%
제품 특성
ALogP
4.84
hba_count
1
HBD 수
1
회전 가능한 결합
3
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764118
정식 스마일
C1CCC(CC1)NC2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C4
IUPAC Name
(2E)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
InChIKey
XJDKPLZUXCIMIS-HMMYKYKNSA-N
INCHI
1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2/b20-15+
이성체 SMILES
C1CCC(CC1)NC\2C3=CC=CC=C3C(=O)/C2=C/C4=CC=CC=C4
분자량
317.42
Reaxy-Rn
2766536
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2766536&ln=

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

KingdomOrganic compounds
SuperclassBenzenoids
분류Indanes
SubclassIndanones
Intermediate Tree Nodes Not available
Direct ParentIndanones
Alternative Parents Aryl ketones  Cyclohexylamines  Aralkylamines  Benzene and substituted derivatives  Dialkylamines  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Indanone - Aryl ketone - Cyclohexylamine - Aralkylamine - Monocyclic benzene moiety - Ketone - Secondary aliphatic amine - Secondary amine - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
설명This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
DUSP3 Tchem Dual specificity protein phosphatase 3 (1161 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DUSP5 Tchem Dual specificity protein phosphatase 5 (23 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Cdc25b Dual specificity phosphatase Cdc25B (32 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dusp6 Dual specificity protein phosphatase 6 (459 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dusp1 Dual specificity protein phosphatase 1 (15 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Danio rerio (3092 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate Type날짜항목
I2623068Certificate of AnalysisOct 13, 2026 B412799
I2617102Certificate of AnalysisSep 28, 2026 B412799
I2206397Certificate of AnalysisJun 09, 2025 B412799
I2206398Certificate of AnalysisJun 09, 2025 B412799
I2206399Certificate of AnalysisJun 09, 2025 B412799
I2206400Certificate of AnalysisJun 09, 2025 B412799
화학 및 물리적 특성
용해성Solubility (25°C) In vitro DMSO: 63 mg/mL (198.47 mM); Ethanol: 20 mg/mL (63.0 mM); Water: Insoluble;
DMSO(mg/mL) 최대 용해도63
DMSO(mM) 최대 용해도198.475206351207
물(mg/mL) 최대 용해도<1
분자량317.400 g/mol
XLogP34.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass317.178 Da
Monoisotopic Mass317.178 Da
Topological Polar Surface Area29.100 Ų
Heavy Atom Count24
Formal Charge0
Complexity470.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
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