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MedKoo Cat#: 462226 | Name: GNE-149

Description:

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

GNE-149 is a full antagonist and efficient degrader of Estrogen receptor alpha for ER+ breast cancer.

Chemical Structure

GNE-149
GNE-149
CAS#1953132-75-6

Theoretical Analysis

MedKoo Cat#: 462226

Name: GNE-149

CAS#: 1953132-75-6

Chemical Formula: C28H33F4N3O

Exact Mass: 503.2560

Molecular Weight: 503.59

Elemental Analysis: C, 66.78; H, 6.61; F, 15.09; N, 8.34; O, 3.18

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
GNE-149; GNE149; GNE149;
IUPAC/Chemical Name
(1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)oxy)phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChi Key
BKHIBYHLBQEIQK-XGCWNURASA-N
InChi Code
InChI=1S/C28H33F4N3O/c1-17-11-21-20-7-4-5-8-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)12-18(13-23(25)31)36-19-14-34(15-19)10-6-9-29/h4-5,7-8,12-13,17,19,27,33H,6,9-11,14-16H2,1-3H3/t17-,27-/m1/s1
SMILES Code
C[C@@H]1CC2=C([C@@H](C3=C(F)C=C(OC4CN(CCCF)C4)C=C3F)N1CC(C)(F)C)NC5=C2C=CC=C5
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 503.59 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: Jun Liang, Robert Blake, Jae Chang, Lori S. Friedman, Simon Goodacre, Steven Hartman, Ellen Rei Ingalla, James R. Kiefer, Tracy Kleinheinz, Sharada Labadie, Jun Li, Kwong Wah Lai, Jiangpeng Liao, Vidhi Mody, Neville McLean, Ciara Metcalfe, Michelle Nannini, Daniel Otwine, Yingqing Ran, Nick Ray, Fabien Roussel, Amy Sambrone, Deepak Sampath, Maia Vinogradova, John Wai, Tao Wang, Kuen Yeap, Amy Young, Jason Zbieg, Birong Zhang, Xiaoping Zheng, Yu Zhong, and Xiaojing Wang. Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer. ACS Medicinal Chemistry Letters 2020 11 (6), 1342-1347. DOI: 10.1021/acsmedchemlett.0c00224