MedKoo Cat#: 130103 | Name: INY-06-061

Description:

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

INY-06-061 is a highly selective and potent heterobifunctional degrader of ERK5, and does not affect the secretion of pro-inflammatory cytokines in endothelial cells nor did it promote anti-proliferative activity in cancer cell lines.

Chemical Structure

 INY-06-061
INY-06-061
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130103

Name: INY-06-061

CAS#: N/A

Chemical Formula: C54H67F3N10O6S

Exact Mass: 1040.4918

Molecular Weight: 1041.25

Elemental Analysis: C, 62.29; H, 6.49; F, 5.47; N, 13.45; O, 9.22; S, 3.08

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
INY-06-061; INY06061; INY 06 061
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-(6-(4-(4-(1-(2-Amino-4-(trifluoromethoxy)benzoyl)piperidin-4-yl)quinazolin-7-yl)piperazin-1-yl)hexanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
InChi Key
BOXPLNRWIHHHBO-CHCOZFFLSA-N
InChi Code
InChI=1S/C54H67F3N10O6S/c1-33(35-10-12-37(13-11-35)48-34(2)61-32-74-48)62-50(70)45-28-39(68)30-67(45)52(72)49(53(3,4)5)63-46(69)9-7-6-8-20-64-23-25-65(26-24-64)38-14-16-42-44(27-38)59-31-60-47(42)36-18-21-66(22-19-36)51(71)41-17-15-40(29-43(41)58)73-54(55,56)57/h10-17,27,29,31-33,36,39,45,49,68H,6-9,18-26,28,30,58H2,1-5H3,(H,62,70)(H,63,69)/t33-,39+,45-,49+/m0/s1
SMILES Code
O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCN(C3=CC4=NC=NC(C5CCN(C(C6=CC=C(OC(F)(F)F)C=C6N)=O)CC5)=C4C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C
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 1,041.25 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. You I, Donovan KA, Krupnick NM, Boghossian AS, Rees MG, Ronan MM, Roth JA, Fischer ES, Wang ES, Gray NS. Acute pharmacological degradation of ERK5 does not inhibit cellular immune response or proliferation. Cell Chem Biol. 2022 Nov 17;29(11):1630-1638.e7. doi: 10.1016/j.chembiol.2022.09.004. Epub 2022 Oct 10. PMID: 36220104; PMCID: PMC9675722.