MedKoo Cat#: 126854 | Name: XYD198

Description:

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

XYD198 is a highly potent and efficient CBP/p300 degrader with strong in vivo antitumor activity. XYD190 potently inhibited the growth of AML cells with low nanomolar IC50 values and effectively degraded CBP and p300 proteins in a concentration- and time-dependent manner. Mechanistic studies confirmed that XYD198 can selectively bind to CBP/p300 bromodomains and induce CBP and p300 degradation in bromodomain family proteins in a CRBN- and proteasome-dependent manner

Chemical Structure

XYD198
XYD198
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 126854

Name: XYD198

CAS#: N/A

Chemical Formula: C54H49F2N11O7

Exact Mass: 1001.3784

Molecular Weight: 1002.05

Elemental Analysis: C, 64.73; H, 4.93; F, 3.79; N, 15.38; O, 11.18

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
XYD198; XYD-198; XYD 198
IUPAC/Chemical Name
2-(4-(2-(1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl)-5-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)-N-(2-(4-(((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)methyl)phenyl)pyrimidin-5-yl)acetamide
InChi Key
UEAATJKINAKBPS-UHFFFAOYSA-N
InChi Code
InChI=1S/C54H49F2N11O7/c1-29-48(30(2)74-63-29)33-13-16-42-41(23-33)61-51(43-7-4-8-47(70)65(43)36-14-15-38(55)39(56)24-36)66(42)35-19-21-64(22-20-35)28-46(69)60-34-26-58-50(59-27-34)32-11-9-31(10-12-32)25-57-40-6-3-5-37-49(40)54(73)67(53(37)72)44-17-18-45(68)62-52(44)71/h3,5-6,9-16,23-24,26-27,35,43-44,57H,4,7-8,17-22,25,28H2,1-2H3,(H,60,69)(H,62,68,71)
SMILES Code
FC1=C(F)C=CC(N2C(C3=NC(C=C(C4=C(C)ON=C4C)C=C5)=C5N3C6CCN(CC(NC7=CN=C(C8=CC=C(CNC9=CC=CC%10=C9C(N(C%11C(NC(CC%11)=O)=O)C%10=O)=O)C=C8)N=C7)=O)CC6)CCCC2=O)=C1
Appearance
To be determined
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 1,002.05 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
Hu J, Xu H, Wu T, Zhang C, Shen H, Dong R, Hu Q, Xiang Q, Chai S, Luo G, Chen X, Huang Y, Zhao X, Peng C, Wu X, Lin B, Zhang Y, Xu Y. Discovery of Highly Potent and Efficient CBP/p300 Degraders with Strong In Vivo Antitumor Activity. J Med Chem. 2024 Apr 22. doi: 10.1021/acs.jmedchem.3c02195. Epub ahead of print. PMID: 38649304.