PROTAC Mcl1 degrader-1 - ≥98% , CAS No.2163793-38-0

CAS: 2163793-38-0 Cat. No.: P651236 Formula: C45H45BrN6O8S Peso molecolare: 909.84 PubChem CID: 139035048
Disponibile su ordine
GRADE & PURITY ≥98%
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
Application
PROTAC
★
Size
Germania (EU)
USA*
Price
Qty
10mg
P651236-10mg
Su ordinazione · 8–12 settimane

86,69€

130,07€
Salva 43,39 € (33.36%)
1mg
P651236-1mg
Su ordinazione · 8–12 settimane

12,93€

19,87€
Salva 6,94 € (34.93%)
5mg
P651236-5mg
Su ordinazione · 8–12 settimane

48,51€

72,80€
Salva 24,30 € (33.37%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged 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.

Panoramica

PROTAC Mcl1 degrader-1 (compound C3), a proteolysis targeting chimera ( PROTAC ) based on Cereblon ligand, is a potently and selectively Mcl-1 ( Bcl-2 family member) inhibitor with an IC 50 of 0.78 μM. PROTAC Mcl1 degrader-1 inhibits Bcl-2 with an IC 50 of 0.54 μM

In Vitro

PROTAC Mcl1 degrader-1 (compound C3) induces the ubiquitination and proteasomal degradation of Mcl-1 by introducing the E3 ligase cereblon (CRBN)-binding ligand Pomalidomide to Mcl-1 inhibitor S1-6 with μM-range affinity. ?\nPROTAC Mcl1 degrader-1 (0-10 μM; 0-24 h) induces selective depletion of Mcl-1 or Bcl-2 protein in HeLa cells in a time- and concentration-dependent manner. ?\nPROTAC Mcl1 degrader-1 (0-2 μM; 24 h) shows cytotoxicity against H23 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: HeLa cells and H23 cells Concentration: 0.3, 1.0, 3.0 and 10 μM Incubation Time: 0-24 h Result: Induced time- and concentration-dependent selective depletion of Mcl-1 or Bcl-2 protein in HeLa cells. Induced Mcl-1 depletion and PARP cleavage in H23 cells (0-10 μM; 12 h).

Form:Solid

IC50& Target:Mcl-1 0.78 μM (IC 50 ) Bcl-2 0.54 μM (IC 50 )

Specifications

Specifiche e purezza
≥98%
Meccanismi biochimici e fisiologici
PROTAC Mcl1 degrader-1 (compound C3), a proteolysis targeting chimera ( PROTAC ) based on Cereblon ligand, is a potently and selectively Mcl-1 ( Bcl-2 family member) inhibitor with an IC 50 of 0.78 μM. PROTAC Mcl1 degrader-1 inhibits Bcl-2 with an IC 50 o
Condizioni di conservazione di stoccaggio
Store at -20°C,Argon charged
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Tipo di azione
INHIBITOR
Purezza
≥98%
Nomi e identificatori
Sorrisi canonici
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCNC(=O)CCCCC(=O)NCCN4C(=O)C5=C6C(=C(C=C5)SC7=CC=C(C=C7)Br)C=CC=C6C4=O
IUPAC Name
N'-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]hexanediamide
InChIKey
BORXNUWYWZOREQ-UHFFFAOYSA-N
INCHI
1S/C45H45BrN6O8S/c46-27-15-17-28(18-16-27)61-35-21-19-32-39-29(35)9-7-10-30(39)42(57)51(43(32)58)26-25-49-37(54)14-4-3-13-36(53)48-24-6-2-1-5-23-47-33-12-8-11-31-40(33)45(60)52(44(31)59)34-20-22-38(55)50-41(34)56/h7-12,15-19,21,34,47H,1-6,13-14,20,22-26H2,(H,48,53)(H,49,54)(H,50,55,56)
Isomeri SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCNC(=O)CCCCC(=O)NCCN4C(=O)C5=C6C(=C(C=C5)SC7=CC=C(C=C7)Br)C=CC=C6C4=O
PubChem CID
139035048
Peso molecolare
909.84

Documentazione

📋 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
ClasseIsoquinolines and derivatives
SubclassIsoquinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentIsoquinolones and derivatives
Alternative Parents Phthalimides  Diarylthioethers  Naphthalenes  Alpha amino acids and derivatives  Isoindoles  Thiophenol ethers  Piperidinediones  Secondary alkylarylamines  Delta lactams  Bromobenzenes  N-substituted carboxylic acid imides  N-acyl amines  Aryl bromides  Vinylogous amides  N-unsubstituted carboxylic acid imides  Dicarboximides  Secondary carboxylic acid amides  Sulfenyl compounds  Azacyclic compounds  Organopnictogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phthalimide - Diarylthioether - Isoquinolone - Naphthalene - Isoindolone - Alpha-amino acid or derivatives - Isoindole or derivatives - Isoindole - Isoindoline - Aryl thioether - Thiophenol ether - Piperidinedione - Secondary aliphatic/aromatic amine - Piperidinone - Halobenzene - Delta-lactam - Bromobenzene - Fatty acyl - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Vinylogous amide - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BCL2 Tclin Apoptosis regulator Bcl-2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NCI-H23 (49055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2 Tclin Apoptosis regulator Bcl-2 (3787 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2 Tclin Protein cereblon/Apoptosis regulator Bcl-2 (74 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDM2 Tchem Protein cereblon/E3 ubiquitin-protein ligase Mdm2 (233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2L1 Tchem Protein cereblon/Bcl-2-like protein 1 (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
SolubilitàDMSO : 50 mg/mL (54.95 mM; Need ultrasonic)
Peso molecolare909.800 g/mol
XLogP36.000
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass908.22 Da
Monoisotopic Mass908.22 Da
Topological Polar Surface Area216.000 Ų
Heavy Atom Count61
Formal Charge0
Complexity1660.000
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
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 2163793-38-0, the molecular formula is C45H45BrN6O8S, and the molecular weight is 909.84 g/mol. InChIKey BORXNUWYWZOREQ-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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