MedKoo Cat#: 462525 | Name: PROTAC BET degrader-2
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

PROTAC BET degrader-2 is a highly potent degrader of Bromodomain and Extra-Terminal (BET) proteins. It is capable of achieving tumor regression.

Chemical Structure

PROTAC BET degrader-2
PROTAC BET degrader-2
CAS#2093388-33-9

Theoretical Analysis

MedKoo Cat#: 462525

Name: PROTAC BET degrader-2

CAS#: 2093388-33-9

Chemical Formula: C41H42N10O6

Exact Mass: 770.3289

Molecular Weight: 770.85

Elemental Analysis: C, 63.88; H, 5.49; N, 18.17; O, 12.45

Price and Availability

Size Price Availability Quantity
5mg USD 875.00 2 Weeks
10mg USD 1,300.00 2 Weeks
25mg USD 2,450.00 2 Weeks
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Related CAS #
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Synonym
PROTAC BET degrader-2; PROTAC BET degrader 2
IUPAC/Chemical Name
4-((3-cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-N-(3-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)propyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
InChi Key
LKCUEUQTTCOYPW-UHFFFAOYSA-N
InChi Code
InChI=1S/C41H42N10O6/c1-5-51-32(18-28(48-51)23-11-12-23)44-37-35-25-17-31(56-4)26(34-20(2)49-57-21(34)3)16-29(25)43-36(35)46-38(47-37)40(54)42-15-7-9-22-8-6-10-24-27(22)19-50(41(24)55)30-13-14-33(52)45-39(30)53/h6,8,10,16-18,23,30H,5,7,9,11-15,19H2,1-4H3,(H,42,54)(H,45,52,53)(H2,43,44,46,47)
SMILES Code
O=C(C1=NC(NC2=CC(C3CC3)=NN2CC)=C4C(NC5=C4C=C(OC)C(C6=C(C)ON=C6C)=C5)=N1)NCCCC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 770.85 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Zhou B, Hu J, Xu F, et al. Discovery of a Small-Molecule Degrader of Bromodomain and Extra-Terminal (BET) Proteins with Picomolar Cellular Potencies and Capable of Achieving Tumor Regression. J Med Chem. 2018;61(2):462-481. doi:10.1021/acs.jmedchem.6b01816 2: Lin W, Chen T. General Stepwise Approach to Optimize a TR-FRET Assay for Characterizing the BRD/PROTAC/CRBN Ternary Complex. ACS Pharmacol Transl Sci. 2021 Feb 26;4(2):941-952. doi: 10.1021/acsptsci.1c00032. PMID: 33860212; PMCID: PMC8033776.