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MedKoo Cat#: 122442 | Name: GNE-987

Description:

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

GNE-987 is a BRD4 degrader.

Chemical Structure

GNE-987
GNE-987
CAS#2417371-71-0

Theoretical Analysis

MedKoo Cat#: 122442

Name: GNE-987

CAS#: 2417371-71-0

Chemical Formula: C56H67F2N9O8S2

Exact Mass: 1095.4522

Molecular Weight: 1096.32

Elemental Analysis: C, 61.35; H, 6.16; F, 3.47; N, 11.50; O, 11.67; S, 5.85

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
GNE-987, GNE987, GNE 987
IUPAC/Chemical Name
7-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-2-methyl-10-((methylsulfonyl)methyl)-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxamide
InChi Key
VTPSYVSGGUUAFN-FOHMWQTKSA-N
InChi Code
InChI=1S/C56H67F2N9O8S2/c1-33-49(76-32-63-33)35-18-16-34(17-19-35)25-62-53(71)45-23-39(68)29-67(45)55(73)50(56(2,3)4)64-46(69)15-13-11-9-7-8-10-12-14-20-59-52(70)40-24-44-41(21-36(40)31-77(6,74)75)42-30-65(5)54(72)48-47(42)37(26-60-48)28-66(44)51-43(58)22-38(57)27-61-51/h16-19,21-22,24,26-27,30,32,39,45,50,60,68H,7-15,20,23,25,28-29,31H2,1-6H3,(H,59,70)(H,62,71)(H,64,69)/t39-,45+,50-/m0/s1
SMILES Code
O=C(NCC1=CC=C(C2=C(C)N=CS2)C=C1)[C@@H]3N(C([C@@H](C(C)(C)C)NC(CCCCCCCCCCNC(C4=C(CS(=O)(C)=O)C=C(C(N(C5=NC=C(F)C=C5F)C6)=C4)C7=CN(C)C(C8=C7C6=CN8)=O)=O)=O)=O)C[C@@H](O)C3
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 1,096.32 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: Sang X, Zhang Y, Fang F, Gao L, Tao Y, Li X, Zhang Z, Wang J, Tian Y, Li Z, Yao D, Wu Y, Chu X, Zhang K, Ma L, Lu L, Chen Y, Yu J, Zhuo R, Wu S, Zhang Z, Pan J, Hu S. BRD4 Inhibitor GNE-987 Exerts Anticancer Effects by Targeting Super-Enhancer-Related Gene LYL1 in Acute Myeloid Leukemia. J Immunol Res. 2022 Aug 1;2022:7912484. doi: 10.1155/2022/7912484. PMID: 35958877; PMCID: PMC9359861. 2: Sternicki LM, Nonomiya J, Liu M, Mulvihill MM, Quinn RJ. Native Mass Spectrometry for the Study of PROTAC GNE-987-Containing Ternary Complexes. ChemMedChem. 2021 Jul 20;16(14):2206-2210. doi: 10.1002/cmdc.202100113. Epub 2021 May 4. PMID: 33792163; PMCID: PMC8359942. 3: Pillow TH, Adhikari P, Blake RA, Chen J, Del Rosario G, Deshmukh G, Figueroa I, Gascoigne KE, Kamath AV, Kaufman S, Kleinheinz T, Kozak KR, Latifi B, Leipold DD, Sing Li C, Li R, Mulvihill MM, O'Donohue A, Rowntree RK, Sadowsky JD, Wai J, Wang X, Wu C, Xu Z, Yao H, Yu SF, Zhang D, Zang R, Zhang H, Zhou H, Zhu X, Dragovich PS. Antibody Conjugation of a Chimeric BET Degrader Enables in vivo Activity. ChemMedChem. 2020 Jan 7;15(1):17-25. doi: 10.1002/cmdc.201900497. Epub 2019 Nov 14. PMID: 31674143. 4: Fang F, Lu J, Sang X, Tao YF, Wang JW, Zhang ZM, Zhang YP, Li XL, Xie Y, Wu SY, Chu XR, Li G, Wu D, Chen YL, Yu JJ, Jia SQ, Feng CX, Tian YY, Li ZH, Ling J, Hu SY, Pan J. Super-enhancer profiling identifies novel critical and targetable cancer survival gene LYL1 in pediatric acute myeloid leukemia. J Exp Clin Cancer Res. 2022 Jul 16;41(1):225. doi: 10.1186/s13046-022-02428-9. PMID: 35842703; PMCID: PMC9288051.

View History

GNE-6468

GNE-6468