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MedKoo Cat#: 127124 | Name: ERD-3111

Description:

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

ERD-3111 is an Erα degrader.

Chemical Structure

ERD-3111
ERD-3111
CAS#2832865-25-3

Theoretical Analysis

MedKoo Cat#: 127124

Name: ERD-3111

CAS#: 2832865-25-3

Chemical Formula: C45H46F4N8O5

Exact Mass: 854.3527

Molecular Weight: 854.91

Elemental Analysis: C, 63.22; H, 5.42; F, 8.89; N, 13.11; O, 9.36

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
ERD-3111; ERD3111; ERD 3111
IUPAC/Chemical Name
6-[2-[9-[4-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3,5-difluorophenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
InChi Key
RASJDLFEGKXLIV-LQFKIQTBSA-N
InChi Code
InChI=1S/C45H46F4N8O5/c1-24-14-29-28(2-3-35-32(29)19-50-52-35)41(56(24)22-37(48)49)40-33(46)17-27(18-34(40)47)54-10-6-45(7-11-54)8-12-55(13-9-45)39(59)23-53-20-25-15-30-31(16-26(25)21-53)44(62)57(43(30)61)36-4-5-38(58)51-42(36)60/h2-3,15-19,24,36-37,41H,4-14,20-23H2,1H3,(H,50,52)(H,51,58,60)/t24-,36?,41+/m1/s1
SMILES Code
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=C4C(CN(CC(N5CCC6(CCN(C7=CC(F)=C([C@H]8N(CC(F)F)[C@H](C)CC9=C8C=CC%10=C9C=NN%10)C(F)=C7)CC6)CC5)=O)C4)=C3)=O
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 854.91 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
Chen Z, Hu B, Rej RK, Wu D, Acharyya RK, Wang M, Xu T, Lu J, Metwally H, Wang Y, McEachern D, Bai L, Gersch CL, Wang M, Zhang W, Li Q, Wen B, Sun D, Rae JM, Wang S. Discovery of ERD-3111 as a Potent and Orally Efficacious Estrogen Receptor PROTAC Degrader with Strong Antitumor Activity. J Med Chem. 2023 Sep 14;66(17):12559-12585. doi: 10.1021/acs.jmedchem.3c01186. Epub 2023 Aug 30. PMID: 37647546.