PROTAC ERα Degrader-2

PROTAC ERα Degrader-2 comprises a cIAP1 ligand binding group, a linker and an estrogen receptor α (ERα) binding group. PROTAC ERα Degrader-2 is an ERα degrader. Maximal ERα degradation at 30 μM concentration in human mammary tumor MCF7 cells. Degradation inducers based on cIAP1 are called specific and non-genetic IAP-dependent protein erasers (SNIPERs).

Product information

CAS Number: 1351169-29-3

Molecular Weight: 763.96

Formula: C42H61N5O8

Chemical Name: (2S)-N-[2-(2-{2-[2-({[(1E, 3aS, 3bR, 9bS, 11aS)-7-hydroxy-11a-methyl-1H, 2H, 3H, 3aH, 3bH, 4H, 5H, 9bH, 10H, 11H, 11aH-cyclopenta[a]phenanthren-1-ylidene]amino}oxy)acetamido]ethoxy}ethoxy)ethyl]-2-[(2S, 3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanamide

Smiles: CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1C=CC=CC=1)C(=O)NCCOCCOCCNC(=O)CO/N=C1\CC[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@]\12C

InChiKey: MMDOSMHAAYKBET-UTCZBAMKSA-N

InChi: InChI=1S/C42H61N5O8/c1-27(2)23-36(46-41(52)39(50)35(43)24-28-7-5-4-6-8-28)40(51)45-18-20-54-22-21-53-19-17-44-38(49)26-55-47-37-14-13-34-33-11-9-29-25-30(48)10-12-31(29)32(33)15-16-42(34,37)3/h4-8,10,12,25,27,32-36,39,48,50H,9,11,13-24,26,43H2,1-3H3,(H,44,49)(H,45,51)(H,46,52)/b47-37+/t32-,33-,34+,35-,36+,39+,42+/m1/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 200 mg/mL (261.79 mM; Need ultrasonic)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Scheepstra M, et al. Bivalent Ligands for Protein Degradation in Drug Discovery. Comput Struct Biotechnol J. 2019 Jan 25;17:160-176.

Products are for research use only. Not for human use.