WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130544
CAS#: N1S
Description: N1S is the first direct cell-permeable inhibitor of Nrf2/sMAF transcription factor. It directly inhibits Nrf2/MafG heterodimerization.
Hodoodo Cat#: H130544
Name: N1S
CAS#: N1S
Chemical Formula: C89H147N19O31
Exact Mass: 1,978.05
Molecular Weight: 1,979.260
Elemental Analysis: C, 54.01; H, 7.49; N, 13.45; O, 25.06
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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. 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.