SNIPER(ER)-87 | CAS#2222354-91-6 | IAP ligand LCL161 derivative

MedKoo Cat#: 462347 | Name: SNIPER(ER)-87

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Description:

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

SNIPER(ER)-87 consists of an inhibitor of apoptosis protein (IAP) ligand LCL161 derivative that is conjugated to the estrogen receptor α (ERα) ligand 4-hydroxytamoxifen by a PEG linker, and efficiently degrades the ERα protein

Chemical Structure

SNIPER(ER)-87

CAS#2222354-91-6

Theoretical Analysis

MedKoo Cat#: 462347

Name: SNIPER(ER)-87

CAS#: 2222354-91-6

Chemical Formula: C59H73N5O10S

Exact Mass: 1043.5078

Molecular Weight: 1044.32

Elemental Analysis: C, 67.86; H, 7.05; N, 6.71; O, 15.32; S, 3.07

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 750.00	2 Weeks

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Related CAS #

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Synonym

SNIPER(ER)-87; SNIPER(ER) 87; SNIPER(ER)87;

IUPAC/Chemical Name

(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(3-((1-(4-((E)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)-3-methyl-4-oxo-6,9,12-trioxa-3-azatetradecan-14-yl)oxy)benzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide

InChi Key

ILLYWIKUEZHTSD-MEWFHHHASA-N

InChi Code

InChI=1S/C59H73N5O10S/c1-5-50(42-14-8-6-9-15-42)54(43-21-25-47(65)26-22-43)44-23-27-48(28-24-44)73-31-30-63(4)53(66)39-72-35-34-70-32-33-71-36-37-74-49-19-12-18-46(38-49)56(67)51-40-75-58(61-51)52-20-13-29-64(52)59(69)55(45-16-10-7-11-17-45)62-57(68)41(2)60-3/h6,8-9,12,14-15,18-19,21-28,38,40-41,45,52,55,60,65H,5,7,10-11,13,16-17,20,29-37,39H2,1-4H3,(H,62,68)/b54-50+/t41-,52-,55-/m0/s1

SMILES Code

C[C@@H](C(N[C@H](C(N1[C@@H](CCC1)C2=NC(C(C3=CC=CC(OCCOCCOCCOCC(N(CCOC4=CC=C(C=C4)/C(C5=CC=C(C=C5)O)=C(CC)/C6=CC=CC=C6)C)=O)=C3)=O)=CS2)=O)C7CCCCC7)=O)NC

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

SNIPER(ER)-87 is a potent and selective estrogen receptor α (ERα) Degrader (DC50 = 3 nM).

In vitro activity:

To be determined

In vivo activity:

This study highlighted SNIPER molecules’ ability to target proteins in different cellular compartments. This study developed a novel SNIPER against estrogen receptor α (ERα), SNIPER(ER)-87, that has a potent protein knockdown activity. SNIPER(ER)-87 reduced ERα levels in tumor xenografts and suppressed the growth of ERα-positive breast tumors in mice. Reference: Mol Pharmacol. 2017 Mar;91(3):159-166. https://pubmed.ncbi.nlm.nih.gov/28154167/

	Solvent	mg/mL	mM	comments
Solubility
	DMSO	104.4	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 1,044.32 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.

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

Formulation protocol:

1. Okuhira K, Shoda T, Omura R, Ohoka N, Hattori T, Shibata N, Demizu Y, Sugihara R, Ichino A, Kawahara H, Itoh Y, Ishikawa M, Hashimoto Y, Kurihara M, Itoh S, Saito H, Naito M. Targeted Degradation of Proteins Localized in Subcellular Compartments by Hybrid Small Molecules. Mol Pharmacol. 2017 Mar;91(3):159-166. doi: 10.1124/mol.116.105569. Epub 2016 Dec 13. PMID: 27965304.

In vitro protocol:

To be determined

In vivo protocol:

1: Ohoka N, Okuhira K, Ito M, et al. In Vivo Knockdown of Pathogenic Proteins via Specific and Nongenetic Inhibitor of Apoptosis Protein (IAP)-dependent Protein Erasers (SNIPERs). J Biol Chem. 2017;292(11):4556-4570. doi:10.1074/jbc.M116.768853 2: Ohoka N, Morita Y, Nagai K, et al. Derivatization of inhibitor of apoptosis protein (IAP) ligands yields improved inducers of estrogen receptor α degradation. J Biol Chem. 2018;293(18):6776-6790. doi:10.1074/jbc.RA117.001091