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MedKoo Cat#: 130544 | Name: N1S

Description:

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

N1S is the first direct cell-permeable inhibitor of Nrf2/sMAF transcription factor. It directly inhibits Nrf2/MafG heterodimerization.

Chemical Structure

N1S
N1S
CAS#N1S

Theoretical Analysis

MedKoo Cat#: 130544

Name: N1S

CAS#: N1S

Chemical Formula: C89H147N19O31

Exact Mass: 1978.0510

Molecular Weight: 1979.26

Elemental Analysis: C, 54.01; H, 7.49; N, 13.45; O, 25.06

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
N1-S, N1 S
IUPAC/Chemical Name
2,2'-((2S,5S,8S,11R,20R,Z)-11-(((3S,6S,9S,12S,15S,18S)-6,15-Bis(4-aminobutyl)-3-carbamoyl-1-carboxy-9-(2-carboxyethyl)-12-(carboxymethyl)-20-methyl-5,8,11,14,17-pentaoxo-4,7,10,13,16-pentaazahenicosan-18-yl)carbamoyl)-20-((2S,5S,8S,11S,14S)-14-((S)-sec-butyl)-2,8-bis(2-carboxyethyl)-5-isobutyl-11-isopropyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaheptadecanamido)-5-isobutyl-11,20-dimethyl-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-2,8-diyl)diacetic acid
InChi Key
PIOPSNJZEUDPNX-JKIKHRAMSA-N
InChi Code
InChI=1S/C89H147N19O31/c1-14-49(10)71(93-50(11)109)85(137)106-70(48(8)9)84(136)99-55(29-33-65(114)115)76(128)100-57(39-45(2)3)77(129)98-56(30-34-66(116)117)82(134)107-88(12)35-21-17-15-16-18-22-36-89(13,108-83(135)62(44-69(122)123)103-78(130)58(40-46(4)5)101-81(133)61(43-68(120)121)105-87(88)139)86(138)104-59(41-47(6)7)79(131)96-53(26-20-24-38-91)74(126)102-60(42-67(118)119)80(132)97-54(28-32-64(112)113)75(127)95-52(25-19-23-37-90)73(125)94-51(72(92)124)27-31-63(110)111/h15-16,45-49,51-62,70-71H,14,17-44,90-91H2,1-13H3,(H2,92,124)(H,93,109)(H,94,125)(H,95,127)(H,96,131)(H,97,132)(H,98,129)(H,99,136)(H,100,128)(H,101,133)(H,102,126)(H,103,130)(H,104,138)(H,105,139)(H,106,137)(H,107,134)(H,108,135)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)/b16-15-/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,70-,71-,88+,89+/m0/s1
SMILES Code
O=C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@H]1CC(O)=O)=O)=O)[C@](C)(NC([C@H](CCC(O)=O)NC([C@H](CC(C)C)NC([C@H](CCC(O)=O)NC([C@H](C(C)C)NC([C@H]([C@@H](C)CC)NC(C)=O)=O)=O)=O)=O)=O)CCC/C=C\CCC[C@](C)(C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@H](C(N)=O)CCC(O)=O)=O)=O)=O)=O)=O)=O)NC1=O
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 1,979.26 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. Modi R, McKee N, Zhang N, Alwali A, Nelson S, Lohar A, Ostafe R, Zhang DD, Parkinson EI. Stapled Peptides as Direct Inhibitors of Nrf2-sMAF Transcription Factors. J Med Chem. 2023 May 11;66(9):6184-6192. doi: 10.1021/acs.jmedchem.2c02037. Epub 2023 Apr 25. PMID: 37097833; PMCID: PMC10184664.

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