Products for Research Use Only
RegisterLogin

BETd-246

CAT: 0804-HY-115568-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-115568-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BETd-246 is a second-generation and PROTAC-based BET bromodomain (BRD) inhibitor connected by ligands for Cereblon and BET, exhibiting superior selectivity, potency and antitumor activity[1].
CAS Number
2140289-17-2
Product Name Alternative
CP21
UNSPSC
12352005
Target
Epigenetic Reader Domain; PROTACs
Type
Reference compound
Related Pathways
Epigenetics; PROTAC
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/BETd-246.html
Purity
98.34
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(C1=NC(NC2=CC(C3CC3)=NN2CC)=C4C(NC5=C4C=C(OC)C(C6=C(C)ON=C6C)=C5)=N1)NCCCOCCOCCOCCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O
Molecular Formula
C48H55N11O10
Molecular Weight
946.02
References & Citations
[1]Bai L, et al. Targeted Degradation of BET Proteins in Triple-Negative Breast Cancer. Cancer Res. 2017 May 1;77 (9) :2476-2487.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-((3-Cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-N-(3-(2-(2-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)ethoxy)ethoxy)propyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CAS Number2140289-17-2
PubChem CID131698640
IUPAC Name4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
Molecular FormulaC48H55N11O10
Molecular Weight946.0
XLogP4.6
Topological Polar Surface Area259
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count23
Heavy Atom Count69
Formal Charge0
Complexity1800
SMILES
CCN1C(=CC(=N1)C2CC2)NC3=NC(=NC4=C3C5=CC(=C(C=C5N4)C6=C(ON=C6C)C)OC)C(=O)NCCCOCCOCCOCCCNC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O
InChI
InChI=1S/C48H55N11O10/c1-5-58-37(25-33(56-58)28-11-12-28)52-43-41-30-24-36(65-4)31(39-26(2)57-69-27(39)3)23-34(30)51-42(41)54-44(55-43)46(62)50-16-8-18-67-20-22-68-21-19-66-17-7-15-49-32-10-6-9-29-40(32)48(64)59(47(29)63)35-13-14-38(60)53-45(35)61/h6,9-10,23-25,28,35,49H,5,7-8,11-22H2,1-4H3,(H,50,62)(H,53,60,61)(H2,51,52,54,55)
InChIKey
XEJMFVWHCPNMRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((3-Cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-N-(3-(2-(2-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)ethoxy)ethoxy)propyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CAS: 2140289-17-2
CID: 131698640
Formula: C48H55N11O10
MW: 946.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight946.0
XLogP34.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count23
Exact Mass945.41333699
Monoisotopic Mass945.41333699
Topological Polar Surface Area259 Ų
Heavy Atom Count69
Formal Charge0
Complexity1800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-101519-01BETd-260
HY-W999638CRBN ligand-246
HY-170689CG-3-246
HY-168109Antibacterial agent 246
HY-P1917Uty HY Peptide (246-254)
HY-P1917A-01Uty HY Peptide (246-254) (TFA)
HY-P70967-01NRG1-beta 1, Human (246a.a, His)
HY-13536-01AZD-2461
HY-50703-01MK-2461
HY-12579RO 2468

Alternative Products

CatalogName
QKD28917-01BETd-246
A18913-50BETd-246 50mg
A18913-10BETd-246 10mg
A18913-5BETd-246 5mg
A18913-100BETd-246 100mg
A18913-1BETd-246 1mg
A18913-25BETd-246 25mg
BA2875-25BETd-260
M13421BETd-260 trifluoroacetate
A12563-100BETd-260 100mg

Popular Products