D-64131 - ≥97% , CAS No.74588-78-6

CAS: 74588-78-6 Cat. No.: D127802 분자식: C16H13NO2 분자량: 251.28
주문 가능
GRADE & PURITY ≥97%
Synonyms
CHEBI:92475 | FT-0700358 | (5-Methoxy-1H-indol-2-yl)-phenyl-methanone | ZCA58878 | (5-Methoxy-1H-indol-2-yl)(phenyl)methanone | SR-01000597597-1 | DTXSID30397970 | ICMIJSRDISNKOC-UHFFFAOYSA-N | Tocris-1643 | HMS3676P03 | EC-000.2395 | SCHEMBL5828518 | 5-m
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
D127802-5mg
주문제작 · 8~12주
US$19.90
10mg
D127802-10mg
3 재고 있음
—
US$30.90
25mg
D127802-25mg
주문제작 · 8~12주
US$72.90
50mg
D127802-50mg
3 재고 있음
—
US$113.90
100mg
D127802-100mg
주문제작 · 8~12주
US$207.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
CHEBI:92475 | FT-0700358 | (5-Methoxy-1H-indol-2-yl)-phenyl-methanone | ZCA58878 | (5-Methoxy-1H-indol-2-yl)(phenyl)methanone | SR-01000597597-1 | DTXSID30397970 | ICMIJSRDISNKOC-UHFFFAOYSA-N | Tocris-1643 | HMS3676P03 | EC-000.2395 | SCHEMBL5828518 | 5-m
사양 및 순도
≥97%
생화학 및 생리적 메커니즘
Novel inhibitor of tubulin polymerization; cytotoxic and inhibits tumor cell proliferationin vitro(IC50= 74 nM). Prevents growth of tumor models in mice following oral administrationin vivo.
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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작업 유형
INHIBITOR
순수함
≥97%
이름과 식별자
Pubchem Sid504762793
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504762793
정식 스마일COC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC=CC=C3
IUPAC Name(5-methoxy-1H-indol-2-yl)-phenylmethanone
InChIKeyICMIJSRDISNKOC-UHFFFAOYSA-N
INCHI1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
이성체 SMILES COC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC=CC=C3
분자량 251.28
Reaxy-Rn 4464016
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4464016&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
SuperclassOrganoheterocyclic compounds
분류Indoles and derivatives
SubclassBenzoylindoles
Intermediate Tree Nodes Not available
Direct ParentBenzoylindoles
Alternative Parents Aryl-phenylketones  Indolecarboxylic acids and derivatives  Indoles  Benzoyl derivatives  Anisoles  Alkyl aryl ethers  Substituted pyrroles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoylindole - Aryl-phenylketone - Indolecarboxylic acid derivative - Indole - Anisole - Benzoyl - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Ketone - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl group.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U373 MG (658 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Tumor Cell line (551 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TUBB2B Tubulin beta chain (424 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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.

2 results found

Lot NumberCertificate Type날짜항목
K2122163Certificate of AnalysisSep 18, 2023 D127802
K2122169Certificate of AnalysisSep 18, 2023 D127802
화학 및 물리적 특성
용해성Solvent:ethanol, Max Conc. mg/mL: 5.03, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 25.13, Max Conc. mM: 100
분자량251.280 g/mol
XLogP33.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass251.095 Da
Monoisotopic Mass251.095 Da
Topological Polar Surface Area42.100 Ų
Heavy Atom Count19
Formal Charge0
Complexity325.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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