EBI-2511 - Moligand™, 10mM in DMSO , Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit, CAS No.2098546-05-3, Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit

CAS: 2098546-05-3 Cat. No.: E422546 분자식: C34H48N4O4 분자량: 576.77
주문 가능
등급 & 순도 Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
4-​Benzofurancarboxamid​e,N-​[(1,​2-​dihydro-​4,​6-​dimethyl-​2-​oxo-​3-​pyridinyl)​methyl]​-​5-​ethyl-​6-​[ethyl(tetrahydro-​2H-​pyran-​4-​yl)​amino]​-​2-​[1-​(1-​methylethyl)​-​4-​piperidinyl]​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
크기
USA
독일 (EU)*
가격
수량
1ml
E422546-1ml
주문제작 · 8~12주

US$571.90

US$667.90
저장 US$96.00 (14.37%)
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이 등급을 선택하는 이유

Moligand™, 10mM in DMSO Moligand™ 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

🌡

보관 및 배송

Store at -80°C Dry ice packs + Cold packs 출고. 정확한 사양은 로트별 COA를 확인하세요.

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품질 문서

SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.

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문헌적 근거

크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.

개요

Information

EBI-2511 EBI-2511 is a highly potent and orally active EZH2 inhibitor with an IC50 of 4 nM for EZH2(A667G).

Targets

EZH2(A667G) (Cell-free assay) 4 nM

In vivo

In in vivo experiments, rats are administrated with dosages of 5 mg/kg EBI-2511 (p.o.) and 0.5 mg/kg EBI-2511 (i.v.). Mice are administrated with dosages of 10 mg/kg p.o. and 1.0 mg/kg i.v. For i.v. administration, the clearance of EBI-2511 is modest with CLz/F of 26 and 32 mL/min/kg in rats and mice, respectively. After a single 5 and 10 mg/kg oral dose of a CMC-Na suspension of EBI-2511 to rats and mice, its AUC0‑t reaches 239 and 774 ng/mL·h with oral bioavailability of 9% and 16%, respectively. plasma protein binding of EBI-2511 in human, rat, and mouse are 93.9%, 94.0%, and 92.7%, respectively.

Cell Research(from reference)

Cell lines:Pfeiffer cells 

Incubation Time:5 days 

사양

동의어
4-​Benzofurancarboxamid​e,N-​[(1,​2-​dihydro-​4,​6-​dimethyl-​2-​oxo-​3-​pyridinyl)​methyl]​-​5-​ethyl-​6-​[ethyl(tetrahydro-​2H-​pyran-​4-​yl)​amino]​-​2-​[1-​(1-​methylethyl)​-​4-​piperidinyl]​-
사양 및 순도
Moligand™, 10mM in DMSO
생화학 및 생리적 메커니즘
EBI-2511 is a highly potent and orally active EZH2 inhibitor with an IC50 of 4 nM for EZH2(A667G).
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.
등급
Moligand™
작업 유형
INHIBITOR
작동 메커니즘
Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit
제품 특성
ALogP
4.484
hba_count
4
HBD 수
2
회전 가능한 결합
9
이름과 식별자
정식 스마일
CCC1=C(C2=C(C=C1N(CC)C3CCOCC3)OC(=C2)C4CCN(CC4)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C
IUPAC Name
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-4-carboxamide
InChIKey
NYWVSLBALKNFJR-UHFFFAOYSA-N
INCHI
1S/C34H48N4O4/c1-7-26-29(38(8-2)25-11-15-41-16-12-25)19-31-27(18-30(42-31)24-9-13-37(14-10-24)21(3)4)32(26)34(40)35-20-28-22(5)17-23(6)36-33(28)39/h17-19,21,24-25H,7-16,20H2,1-6H3,(H,35,40)(H,36,39)
이성체 SMILES
CCC1=C(C2=C(C=C1N(CC)C3CCOCC3)OC(=C2)C4CCN(CC4)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C
분자량
576.77
Reaxy-Rn
32322676
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32322676&ln=

문서

📋 안전 데이터 시트(SDS)

위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.

<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3

✅ 분석 성적서(COA)

로트별 품질 데이터. 로트 번호를 입력하여 정확한 COA를 확인하세요.

COA 조회 →

📊 데이터시트

제품 사양 및 응용 분야에 대한 빠른 참조 요약.

데이터시트 보기 →

🔬 사양서

이 등급의 전체 품질 특성 및 합격 기준.

사양서 보기 →

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Aminobenzoic acids and derivatives
Direct ParentAminobenzamides
Alternative Parents Benzofurans  Dialkylarylamines  Pyridinones  Methylpyridines  Dihydropyridines  Aralkylamines  Piperidines  Oxanes  Heteroaromatic compounds  Furans  Trialkylamines  Secondary carboxylic acid amides  Lactams  Amino acids and derivatives  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Aminobenzamide - Benzofuran - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Methylpyridine - Aralkylamine - Pyridinone - Dihydropyridine - Pyridine - Piperidine - Oxane - Hydropyridine - Heteroaromatic compound - Furan - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (2012 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EZH1 Tchem EZH1/SUZ12/EED/AEBP2/RBBP4 complex (29 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 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:
화학 및 물리적 특성
DMSO(mg/mL) 최대 용해도30
DMSO(mM) 최대 용해도52.0138009951974
물(mg/mL) 최대 용해도<1
분자량576.800 g/mol
XLogP35.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass576.368 Da
Monoisotopic Mass576.368 Da
Topological Polar Surface Area87.100 Ų
Heavy Atom Count42
Formal Charge0
Complexity1030.000
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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