MedKoo Cat#: 465664 | Name: XY-06-007
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Description:

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

XY-06-007 is a selective "bump-and-hole" PROTAC degrader targeting the engineered BRD4BD1L94V fusion protein. It achieves a DC₅₀ of 10 nM within 6 hours, inducing proteasomal degradation without affecting wild-type BRD4. The compound links a cereblon (CRBN) E3 ligase ligand to a modified (+)-JQ1 derivative, selectively binding the L94V mutant bromodomain.

Chemical Structure

XY-06-007
XY-06-007
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465664

Name: XY-06-007

CAS#: unknown

Chemical Formula: C41H41ClN8O8

Exact Mass: 808.2736

Molecular Weight: 809.28

Elemental Analysis: C, 60.85; H, 5.11; Cl, 4.38; N, 13.85; O, 15.82

Price and Availability

Size Price Availability Quantity
5mg USD 800.00 2 Weeks
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Related CAS #
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Synonym
XY-06-007; XY06-007; XY 06-007; XY-06007; XY-06 007; XY06007; XY 06 007;
IUPAC/Chemical Name
(2R)-2-((S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-(5-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)pentyl)propanamide
InChi Key
QTDHGBJLMBQHOW-BPJPHOPQSA-N
InChi Code
InChI=1S/C41H41ClN8O8/c1-22(35-37-48-47-23(2)49(37)29-15-14-26(57-3)20-28(29)36(46-35)24-10-12-25(42)13-11-24)38(53)44-19-6-4-5-18-43-33(52)21-58-31-9-7-8-27-34(31)41(56)50(40(27)55)30-16-17-32(51)45-39(30)54/h7-15,20,22,30,35H,4-6,16-19,21H2,1-3H3,(H,43,52)(H,44,53)(H,45,51,54)/t22-,30?,35+/m1/s1
SMILES Code
C[C@H]([C@H]1C2=NN=C(C)N2C3=CC=C(OC)C=C3C(C4=CC=C(Cl)C=C4)=N1)C(NCCCCCNC(COC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 809.28 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: Nowak RP, Xiong Y, Kirmani N, Kalabathula J, Donovan KA, Eleuteri NA, Yuan JC, Fischer ES. Structure-Guided Design of a "Bump-and-Hole" Bromodomain-Based Degradation Tag. J Med Chem. 2021 Aug 12;64(15):11637-11650. doi: 10.1021/acs.jmedchem.1c00958. Epub 2021 Jul 19. PMID: 34279939.