Synonym
GNE-502; GNE502; GNE 502;
IUPAC/Chemical Name
(1R,3R)-1-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-3-methyl-2-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChi Key
ALLRPIPLWLLBGX-CRICUBBOSA-N
InChi Code
InChI=1S/C25H30FN3O3S/c1-17-13-22-21-5-3-4-6-23(21)27-24(22)25(29(17)33(2,30)31)19-7-9-20(10-8-19)32-12-11-28-15-18(14-26)16-28/h3-10,17-18,25,27H,11-16H2,1-2H3/t17-,25-/m1/s1
SMILES Code
C[C@H](C1)N(S(C)(=O)=O)[C@H](C2=CC=C(OCCN3CC(CF)C3)C=C2)C4=C1C5=CC=CC=C5N4
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
471.59
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.
| 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: Zbieg JR, Liang J, Li J, Blake RA, Chang J, Friedman L, Goodacre S, Hartman SJ, Rei Ingalla E, Kiefer JR, Kleinheinz T, Labadie S, Lai T, Liao J, McLean N, Metcalfe C, Mody V, Nannini M, Ortwine DF, Ran Y, Ray N, Roussel F, Sambrone A, Sampath D, Vinogradova M, Wai J, Wang T, Yeap K, Zhang B, Zheng X, Zhong Y, Wang X. Discovery of GNE-502 as an orally bioavailable and potent degrader for estrogen receptor positive breast cancer. Bioorg Med Chem Lett. 2021 Aug 20;50:128335. doi: 10.1016/j.bmcl.2021.128335. Epub ahead of print. PMID: 34425201.
