SJF620 - ≥99% , CAS No.2376187-16-3

CAS: 2376187-16-3 Cat. No.: S647958 분자식: C41H44N8O7 분자량: 760.84 PubChem CID: 139466026
주문 가능
등급 & 순도 ≥99%
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
Application
PROTAC
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가격
수량
10mg
S647958-10mg
주문제작 · 8~12주
US$1,960.90
25mg
S647958-25mg
주문제작 · 8~12주
US$3,800.90
5mg
S647958-5mg
주문제작 · 8~12주
US$1,160.90
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개요

SJF620 is a PROTAC connected by ligands for Cereblon and Btk with a DC 50 of 7.9 nM. SJF620 contains a Lenalidomide analog for recruiting CRBN

In Vitro

SJF620 is a PROTAC that retains potent degradation of BTK in cellular assays with a DC 50 of 7.9 nM in Burkitt lymphoma cell line NAMALWA. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

SJF620 has a super pharmacokinetic profile in mice (1 mg/kg; i.v.) with the half life (t 1/2 ) of 1.64 h. SJF620 exhibits a significantly better pharmacokinetic profile than MT802 . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Cereblon

사양

사양 및 순도
≥99%
생화학 및 생리적 메커니즘
SJF620 is a PROTAC connected by ligands for Cereblon and Btk with a DC 50 of 7.9 nM. SJF620 contains a Lenalidomide analog for recruiting CRBN.
보관 조건
Store at -20°C,Argon charged
배송
Ice chest + Ice pads
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순수함
≥99%
이름과 식별자
정식 스마일
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N
IUPAC Name
3-[6-[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
InChIKey
UJJYPBWMGIPXOE-UHFFFAOYSA-N
INCHI
1S/C41H44N8O7/c42-38-36-37(27-6-8-31(9-7-27)56-30-4-2-1-3-5-30)46-49(39(36)44-26-43-38)29-14-16-47(17-15-29)18-19-53-20-21-54-22-23-55-32-10-11-33-28(24-32)25-48(41(33)52)34-12-13-35(50)45-40(34)51/h1-11,24,26,29,34H,12-23,25H2,(H2,42,43,44)(H,45,50,51)
이성체 SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N
PubChem CID
139466026
분자량
760.84

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Phenylpyrazoles  Diarylethers  Isoindolones  Alpha amino acids and derivatives  Pyrazolo[3,4-d]pyrimidines  Isoindoles  Piperidinediones  Phenoxy compounds  Phenol ethers  Delta lactams  Aminopyrimidines and derivatives  Alkyl aryl ethers  Imidolactams  Tertiary carboxylic acid amides  N-unsubstituted carboxylic acid imides  Heteroaromatic compounds  Dicarboximides  Trialkylamines  Dialkyl ethers  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Diphenylether - Phenylpyrazole - Diaryl ether - Isoindolone - Alpha-amino acid or derivatives - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Isoindole or derivatives - Isoindole - Isoindoline - Phenoxy compound - Piperidinedione - Phenol ether - Piperidinone - Delta-lactam - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Pyrimidine - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Azole - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
BTK Tclin Protein cereblon/Tyrosine-protein kinase BTK (75 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
용해성DMSO : 100 mg/mL (131.43 mM; Need ultrasonic)
분자량760.800 g/mol
XLogP33.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass760.333 Da
Monoisotopic Mass760.333 Da
Topological Polar Surface Area176.000 Ų
Heavy Atom Count56
Formal Charge0
Complexity1310.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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