WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H465664
CAS#: unknown
Description: XY-06-007 is a "Bump-and-hole" BRD4BD1L94V degradation tag, showing a half-degradation concentration (DC50, 6 h) of 10 nM against BRD4BD1L94V with no degradation of off-targets.
Hodoodo Cat#: H465664
Name: XY-06-007
CAS#: unknown
Chemical Formula: C41H41ClN8O8
Exact Mass: 808.27
Molecular Weight: 809.277
Elemental Analysis: C, 60.85; H, 5.11; Cl, 4.38; N, 13.85; O, 15.82
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.