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MedKoo Cat#: 130432 | Name: NJH-04-087

Description:

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

NJH-04-087 is a degrader of Kelch-like ECH-associated protein 1 (KEAP1).

Chemical Structure

NJH-04-087
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130432

Name: NJH-04-087

CAS#: N/A

Chemical Formula: C53H55N7O12S

Exact Mass: 1013.3629

Molecular Weight: 1014.12

Elemental Analysis: C, 62.77; H, 5.47; N, 9.67; O, 18.93; S, 3.16

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
NJH-04-087; NJH 04 087
IUPAC/Chemical Name
(3S)-3-(3-(((4R)-7-(6-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-4-yl)oxy)acetamido)hexyl)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)-4-methylphenyl)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic acid
InChi Key
UYKBFSJMXZDTGP-QYQRUEIASA-N
InChi Code
InChI=1S/C53H55N7O12S/c1-30-13-15-34(38(26-47(63)64)35-24-39-50(43(25-35)70-4)58(3)57-56-39)23-36(30)28-59-27-31(2)72-42-22-32(14-19-44(42)73(59,68)69)10-7-5-6-8-21-54-46(62)29-71-41-18-16-33-11-9-12-37-48(33)49(41)53(67)60(52(37)66)40-17-20-45(61)55-51(40)65/h9,11-16,18-19,22-25,31,38,40H,5-8,10,17,20-21,26-29H2,1-4H3,(H,54,62)(H,63,64)(H,55,61,65)/t31-,38+,40?/m1/s1
SMILES Code
O=C(O)C[C@@H](C1=CC=C(C)C(CN2S(C3=CC=C(CCCCCCNC(COC4=C(C5=C6C=CC=C5C=C4)C(N(C(CC7)C(NC7=O)=O)C6=O)=O)=O)C=C3O[C@H](C)C2)(=O)=O)=C1)C8=CC(OC)=C(N(C)N=N9)C9=C8
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 1,014.12 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. Du G, Jiang J, Henning NJ, Safaee N, Koide E, Nowak RP, Donovan KA, Yoon H, You I, Yue H, Eleuteri NA, He Z, Li Z, Huang HT, Che J, Nabet B, Zhang T, Fischer ES, Gray NS. Exploring the target scope of KEAP1 E3 ligase-based PROTACs. Cell Chem Biol. 2022 Oct 20;29(10):1470-1481.e31. doi: 10.1016/j.chembiol.2022.08.003. Epub 2022 Sep 6. PMID: 36070758; PMCID: PMC9588736.