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Chemical structure of BETd-246

GC65506

BETd-246

Also known as 4-[(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

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

ChemicalCAS2140289-17-2MW946.02FormulaC48H55N11O10
CAS number
2140289-17-2
Molecular weight
946.02
Formula
C48H55N11O10
Solubility
DMSO : 200 mg/mL (211·41 mM; Need ultrasonic)
InChIKey
XEJMFVWHCPNMRS-UHFFFAOYSA-N
Catalogue number
GC65506
Brand
GLPBIO
Computed properties PubChem CID 131698640 · XLogP 4.6 · TPSA 259 Ų · H-bond donors 5
XLogP
4.6
TPSA
259 Ų
H-bond donors
5
H-bond acceptors
16
Rotatable bonds
23
Heavy atoms
69

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

Computed descriptors from PubChem (CID 131698640), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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