dBET1 - ≥99% , CAS No.1799711-21-9

CAS: 1799711-21-9 Cat. No.: B305226 Molecular Weight: 785.27
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
(6S)-4-(4-Chlorophenyl)-N-[4-[[2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetyl]amino]butyl]-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide | SG5-025
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
B305226-1mg
3

$44.90

$67.90
Save $23.00 (33.87%)
5mg
B305226-5mg
2

$168.90

$253.90
Save $85.00 (33.48%)
10mg
B305226-10mg
2

$303.90

$455.90
Save $152.00 (33.34%)
25mg
B305226-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$663.90

$995.90
Save $332.00 (33.34%)
50mg
B305226-50mg
2

$1,193.90

$1,790.90
Save $597.00 (33.34%)
100mg
B305226-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$2,148.90

$3,223.90
Save $1,075.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,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.

Overview

dBET1 is a hybrid molecule that combines (+)-JQ1 and thalidomide. It induces cereblon-dependent BET protein degradation in vitro (EC50: 430 nM) and induces apoptosis.

Specifications

Synonyms
(6S)-4-(4-Chlorophenyl)-N-[4-[[2-[[2-(2, 6-dioxo-3-piperidinyl)-2, 3-dihydro-1, 3-dioxo-1H-isoindol-4-yl]oxy]acetyl]amino]butyl]-2, 3, 9-trimethyl-6H-thieno[3, 2-f][1, 2, 4]triazolo[4, 3-a][1, 4]diazepine-6-acetamide | SG5-025
Specifications & Purity
≥99%
Storage
Protected from light, Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Pubchem Sid504772669
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772669
Canonical SmilesCC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C
IUPAC Name2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide
InChIKeyLKEGXJXRNBALBV-PMCHYTPCSA-N
INCHI1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12,25-26H,4-5,13-18H2,1-3H3,(H,40,49)(H,41,50)(H,43,48,51)/t25-,26?/m0/s1
Isomeric SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C
Molecular Weight 785.27
Reaxy-Rn 44254338
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44254338&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
ClassIsoindoles and derivatives
SubclassIsoindolines
Intermediate Tree Nodes Isoindolones
Direct ParentPhthalimides
Alternative Parents Alpha amino acids and derivatives  Thienodiazepines  Isoindoles  Phenol ethers  Piperidinediones  1,4-diazepines  Alkyl aryl ethers  Chlorobenzenes  Delta lactams  N-substituted carboxylic acid imides  Aryl chlorides  N-unsubstituted carboxylic acid imides  Thiophenes  Heteroaromatic compounds  Dicarboximides  Triazoles  Ketimines  Secondary carboxylic acid amides  Azacyclic compounds  Propargyl-type 1,3-dipolar organic compounds  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organochlorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phthalimide - Alpha-amino acid or derivatives - Thieno-para-diazepine - Isoindole - Phenol ether - Piperidinedione - Para-diazepine - Alkyl aryl ether - Piperidinone - Chlorobenzene - Delta-lactam - Halobenzene - Benzenoid - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Piperidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Carboxylic acid imide - Dicarboximide - 1,2,4-triazole - Thiophene - Carboxylic acid imide, n-unsubstituted - Ketimine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Imine - Organic nitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
BRDT Tchem Bromodomain testis-specific protein (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MV4-11 (7307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRDT Tchem Bromodomain testis-specific protein (576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RS4-11 (1012 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLM-13 (2241 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Cereblon/Cullin-4A/Bromodomain-containing protein 4 (37 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD2 Tchem Cereblon/Cullin-4A/Bromodomain-containing protein 2 (31 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD3 Tchem Cereblon/Cullin-4A/Bromodomain-containing protein 3 (31 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Cereblon/Bromodomain-containing protein 4 (275 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Cereblon/DNA damage-binding protein 1/Bromodomain-containing protein 4 (27 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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.

7 results found

Lot NumberCertificate TypeDateItem
K2521134Certificate of AnalysisDec 03, 2025 B305226
J2127464Certificate of AnalysisAug 13, 2024 B305226
J2127466Certificate of AnalysisAug 13, 2024 B305226
J2127467Certificate of AnalysisAug 13, 2024 B305226
J2127509Certificate of AnalysisAug 13, 2024 B305226
J2127566Certificate of AnalysisAug 13, 2024 B305226
J2127575Certificate of AnalysisAug 13, 2024 B305226
Chemical and Physical Properties
SolubilityDMSO: 50 mg/mL;Water: Insoluble;Ethanol: 5 mg/mL
SensitivityLight sensitive
Melt Point(°C)186-187°C
Molecular Weight785.300 g/mol
XLogP33.200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass784.219 Da
Monoisotopic Mass784.219 Da
Topological Polar Surface Area222.000 Ų
Heavy Atom Count55
Formal Charge0
Complexity1550.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.