WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130432
CAS#: N/A
Description: NJH-04-087 is a degrader of Kelch-like ECH-associated protein 1 (KEAP1).
Hodoodo Cat#: H130432
Name: NJH-04-087
CAS#: N/A
Chemical Formula: C53H55N7O12S
Exact Mass: 1,013.36
Molecular Weight: 1,014.120
Elemental Analysis: C, 62.77; H, 5.47; N, 9.67; O, 18.93; S, 3.16
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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: | |
In vitro protocol: | |
In vivo protocol: |
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.