Product Name :
BETd-246
Description:
BETd-246 is a second-generation and PROTAC-based BET bromodomain (BRD) inhibitor, exhibiting superior selectivity, potency and antitumor activity.
CAS:
2140289-17-2
Molecular Weight:
946.02
Formula:
C48H55N11O10
Chemical Name:
4-[(3-cyclopropyl-1-ethyl-1H-pyrazol-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-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}propoxy)ethoxy]ethoxy}propyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
Smiles :
COC1C=C2C3C(NC2=CC=1C1=C(C)ON=C1C)=NC(=NC=3NC1=CC(=NN1CC)C1CC1)C(=O)NCCCOCCOCCOCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChiKey:
XEJMFVWHCPNMRS-UHFFFAOYSA-N
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)
Purity:
≥98% (or refer to the Certificate of Analysis)
Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.{{Grazoprevir} site|{Grazoprevir} HCV Protease|{Grazoprevir} Biological Activity|{Grazoprevir} In Vivo|{Grazoprevir} manufacturer|{Grazoprevir} Autophagy}
Shelf Life:
≥12 months if stored properly.{{Bezlotoxumab} site|{Bezlotoxumab} Anti-infection|{Bezlotoxumab} Purity & Documentation|{Bezlotoxumab} References|{Bezlotoxumab} manufacturer|{Bezlotoxumab} Epigenetics}
Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.PMID:27217159
Additional information:
BETd-246 is a second-generation and PROTAC-based BET bromodomain (BRD) inhibitor, exhibiting superior selectivity, potency and antitumor activity.|Product information|CAS Number: 2140289-17-2|Molecular Weight: 946.02|Formula: C48H55N11O10|Chemical Name: 4-[(3-cyclopropyl-1-ethyl-1H-pyrazol-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-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}propoxy)ethoxy]ethoxy}propyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide|Smiles: COC1C=C2C3C(NC2=CC=1C1=C(C)ON=C1C)=NC(=NC=3NC1=CC(=NN1CC)C1CC1)C(=O)NCCCOCCOCCOCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O|InChiKey: XEJMFVWHCPNMRS-UHFFFAOYSA-N|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)|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Solubility: DMSO : 200 mg/mL (211.41 mM; Need ultrasonic).|Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.|Shelf Life: ≥12 months if stored properly.|Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.|Drug Formulation: To be determined|HS Tariff Code: 382200|How to use|In Vitro:|BETd-246 treatment (0-100 nM, 1-3 h) causes a dose-dependent depletion of BRD2, BRD3 and BRD4 in representative TNBC cell lines with 30-100 nM for 1 h or with 10-30 nM for 3 h incubation. BETd-246 (100 nM, 24/48 hours) displays strong growth inhibition and apoptosis induction activity in MDA-MB-468 cell lines. BETd-246 induces a rapid and time-dependent downregulation of MCL1 protein in all the TNBC cell lines evaluated. BETd-246 induces much stronger apoptosis than BETi-211. BETd-246 (100 nM, 24 hours) induces pronounced cell cycle arrest and apoptosis in TNBC cell lines.|In Vivo:|BETd-246 (5 mg/kg, IV, 3 times per week for 3 weeks) treatment effectively inhibits WHIM24 tumor growth, similar to the antitumor activity of BETi-211 with higher dosage and more frequently administration. The treatment of 10 mg/kg induces partial tumor regression during treatment without apparent toxicity. BETd-246 has very limited drug exposure in the xenograft tumor tissue in MDA-M-231and MDA-MB-468 models.|Products are for research use only. Not for human use.|
