Name: BI-4464 - 10mM in DMSO , CAS No.1227948-02-8
SKU: B420979
Availability: InStock

BI-4464 - 10mM in DMSO , CAS No.1227948-02-8

CAS: 1227948-02-8 Cat. No.: B420979 분자식: C₂₈H₂₈F₃N₅O₄ 분자량: 555.55

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BI-4464 - 10mM in DMSO CAS No(1227948-02-8) by Aladdin Scientific

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주문 가능

GRADE & PURITY 10mM in DMSO

Synonyms

Benzamide,4-[[4-[(2,3-dihydro-3-oxo-1H-inden-4-yl)oxy]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

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Why this grade

10mM in DMSO 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.

📋

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

Information

BI-4464 is a highly selective ATP competitive inhibitor of PTK2/FAK , with an IC50 of 17 nM.

Targets

PTK2/FAK (Cell-free assay) 17 nM

Specifications

동의어

Benzamide,4-[[4-[(2,3-dihydro-3-oxo-1H-inden-4-yl)oxy]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

BI-4464 is a highly selective ATP competitive inhibitor of PTK2/FAK, with an IC50 of 17 nM.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

제품 특성

ALogP	4.531
hba_count	6
HBD 수	2
회전 가능한 결합	8

이름과 식별자

Pubchem Sid	528763431
정식 스마일	CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)CC5)C(F)(F)F)OC
IUPAC Name	3-methoxy-N-(1-methylpiperidin-4-yl)-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
InChIKey	QUSSZSMDFABHLI-UHFFFAOYSA-N
INCHI	1S/C28H28F3N5O4/c1-36-12-10-18(11-13-36)33-25(38)17-6-8-20(23(14-17)39-2)34-27-32-15-19(28(29,30)31)26(35-27)40-22-5-3-4-16-7-9-21(37)24(16)22/h3-6,8,14-15,18H,7,9-13H2,1-2H3,(H,33,38)(H,32,34,35)
이성체 SMILES	CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)CC5)C(F)(F)F)OC
분자량	555.55
Reaxy-Rn	20458328
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20458328&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

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - 분류 Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
분류	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylethers
Alternative Parents	Indanones Benzamides Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers Piperidines Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Diaryl ether - Indanone - Benzamide - Benzoic acid or derivatives - Indane - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Piperidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Ketone - Carboxamide group - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Alkyl fluoride - Alkyl halide - Organic oxide - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors	Not available
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

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

DMSO(mg/mL) 최대 용해도	25
DMSO(mM) 최대 용해도	45.0004500045001
물(mg/mL) 최대 용해도	＜1
분자량	555.500 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Exact Mass	555.209 Da
Monoisotopic Mass	555.209 Da
Topological Polar Surface Area	106.000 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	886.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1