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publicationDate 2021-11-18-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber ES-2878102-T3
titleOfInvention NRF2 activator
abstract A compound represented by Formula I: **(See formula)** or a pharmaceutically acceptable salt thereof, wherein R1 is -CN, -C(O)Ra, CH3S(O)2- or substituted C1-8 alkyl with one or more fluorine atoms; Ra is H, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, a 3 to 12 membered heterocyclyl, -OR11, -SR14, -N(R12)2, -NR13OR13 , -NR13S(O)2R13, -NR13C(O)R13, -N(R13)N(R13)2, -N(R13)C(O)OR13 or -N(R13)C(O)N(R13) 2, wherein each of C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, 3 to 12 membered carbocyclyl, and 3 to 12 membered heterocyclyl is optionally substituted with one or more R21; R2 is H, halo, -NO2, -CN, -N3, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, a 3 to 12 membered heterocyclyl, -C(O )R13, -C(S)R13, -C(O)OR13, -C(S)SR13, -C(O)SR13, -C(S)OR13, -SC(O)R13, -OC(S) R13, -SC(S)R13, -C(O)N(R13)2, -OR11, -SR14, -N(R12)2, -N(R13)OR13, -N(R13)S(O)2R13 , -N(R13)C(O)R13, - N(R13)N(R13)2, -N(R13)C(O)OR13, -N(R13)C(O)N(R13)2, - S(O)2R13, -S(O)R13, -S(O)N(R13)2, -S(O)2N(R13)2, -N+(R13)3, -S+(R13)2 or - Si(R13)3, wherein each of C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, 3 to 12 membered carbocyclyl, and 3 to 12 membered heterocyclyl is optionally substituted with one or more R21; R3a is H, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, a 3 to 12 membered heterocyclyl, -C(O)R13, -C(O)OR13, - C(O)N(R13)2, -OR11, -N(R12)2, -N(R13)OR13, -N(R13)S(O)2R13, -N(R13)C(O)R13, - N(R13)N(R13)2, -N(R13)C(O)OR13, -N(R13)C(O)N(R13)2, -S(O)R13, -S(O)N( R13)2 or -S(O)2N(R13)2, wherein each of C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, 3-12 membered carbocyclyl and 3-12 membered heterocyclyl is substituted optionally with one or more R21; and R3b is C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, a 3 to 12 membered heterocyclyl, -C(O)R13, -C(O)OR13, -C (O)N(R13)2, -OR11, -N(R12)2, -N(R13)OR13, -N(R13)S(O)2R13, -N(R13)C(O)R13, -N (R13)N(R13)2, -N(R13)C(O)OR13, -N(R13)C(O)N(R13)2, -S(O)R13, -S(O)N(R13 )2 or -S(O)2N(R13)2, wherein each of C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, 3-12 membered carbocyclyl and 3-12 membered heterocyclyl is optionally substituted with one or more R21; or R3a and R3b are taken together and are C2-12 alkylene, C2-12 alkenylene, or C2-12 alkynylene; wherein each of C2-12 alkylene, C2-12 alkenylene, C2-12 alkynylene and 3-6 membered carbocyclyl is optionally substituted with one or more R21; R4 is H, halo, -NO2, -CN, -N3, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, a 3 to 12 membered heterocyclyl, -C(O )R13, -C(S)R13, -C(O)OR13, -C(S)SR13, -C(O)SR13, -C(S)OR13, -SC(O)R13, -OC(S) R13, -SC(S)R13, -C(O)N(R13)2, -OR11, -SR14, -N(R12)2, -N(R13)OR13, -N(R13)S(O)2R13 , -N(R13)C(O)R13, - N(R13)N(R13)2, -N(R13)C(O)OR13, -N(R13)C(O)N(R13)2, - S(O)2R13, -S(O)R13, -S(O)N(R13)2, -S(O)2N(R13)2, -N+(R13)3, -S+(R13)2 or - Si(R13)3, wherein each of C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, 3 to 12 membered carbocyclyl, and 3 to 12 membered heterocyclyl is optionally substituted with one or more R21; " " is a single bond or a double bond, where when " is absent; and when " " is a single bond, then " is a double bond, then R5 is R5 is H, halo, -NO2, -CN, - N3, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, a 3 to 12 membered heterocyclyl, -C(O)R13, -C(S)R13, -C( O)OR13, -C(S)SR13, -C(O)SR13, -C(S)OR13, -SC(O)R13, -OC(S)R13, -SC(S)R13, -C(O )N(R13)2, -OR11, -SR14, -N(R12)2, -N(R13)OR13, -N(R13)S(O)2R13, -N(R13)C(O)R13, - 0 N(R13)N(R13)2, -N(R13)C(O)OR13, -N(R13)C(O)N(R13)2, -S(O)2R13, -S(O)R13 , -S(O)N(R13)2, -S(O)2N(R13)2, -N+(R13)3, -S+(R13)2, or -Si(R13)3, where each of alkyl C1-12, C2-12 alkenyl, C2-12 alkynyl, 3-12 membered carbocyclyl and 3-12 membered heterocyclyl is optionally substituted with one or more R21; or R5 and R3b are taken together with the carbons to which they are each attached to form a 3-6 membered carbocyclyl, wherein the 3-6 membered carbocyclyl is optionally substituted with one or more R21; R6, at each occurrence, is independently halo, -NO2, -CN, -N3, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3-12 membered carbocyclyl, a 3-12 membered heterocyclyl, -C(O)R13, -C(S)R13, -C(O)OR13, -C(S)SR13, -C(O)SR13, -C(S)OR13, -SC(O)R13, - OC(S)R13, -SC(S)R13, -C(O)N(R13)2, -OR11, -SR14, -N(R12)2, -N(R13)OR13, -N(R13)S (O)2R13, -N(R13)C(O)R13, -N(R13)N(R13)2, -N(R13)C(O)OR13, -N(R13)C(O)N(R13 )2, -S(O)2R13, -S(O)R13, -S(O)N(R13)2, -S(O)2N(R13)2, -N+(R13)3, -S+(R13 )2 or -Si(R13)3; or two R6 attached to the same ring carbon to form an oxo, =NR14 or C1-12 alkylidene, where each of C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, 3- to 12-membered carbocyclyl, heterocyclyl from 3 to 12 members and C1-12 alkylidene is optionally substituted with one or more R21; X is NRb or O; Rb is H, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, a 3 to 12 membered heterocyclyl, -C(O)Rc, -C(O)ORc, - C(O)NRcRc, -S(O)2Rc, -S(O)2ORc or -S(O)2NRcRc, where each of C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, carbocyclyl of 3 to 12 membered and 3 to 12 membered heterocyclyl is optionally substituted with one or more R21; Rc, at each occurrence, is independently selected from H, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, and a 3 to 12 membered heterocyclyl, where each of C1 alkyl -12, C2-12 alkenyl, C2-12 alkynyl, 3 to 12 membered carbocyclyl and 3 to 12 membered heterocyclyl is optionally substituted with one or more R21; R11, at each occurrence, is independently selected from H, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, 3-12 membered carbocyclyl, 3-12 membered heterocyclyl, C1-12 acyl, and -Si (R13)3, wherein each of C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, 3-12 membered carbocyclyl, 3-12 membered heterocyclyl, and C1-12 acyl is optionally substituted with one or more R21; R12, at each occurrence, is independently selected from H, C1-12 alkyl, C1-12 alkoxy, C2-12 alkenyl, C2-12 alkynyl, 3-12 membered carbocyclyl, 3-12 membered heterocyclyl, and -Si (R13)3, wherein each of C1-12 alkyl, C1-12 alkoxy, C2-12 alkenyl, C2-12 alkynyl, 3 to 12 membered carbocyclyl, and 3 to 12 membered heterocyclyl is optionally substituted with one or more R21; R13, at each occurrence, is independently selected from H, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, and a 3 to 12 membered heterocyclyl, wherein each of C1 alkyl -12, C2-12 alkenyl, C2-12 alkynyl, 3 to 12 membered carbocyclyl, and 3 to 12 membered heterocyclyl is optionally substituted with one or more R21; R14, at each occurrence, is independently selected from H, C1-alkyl 12, C2-12 alkenyl, C2-12 alkynyl, a 3 to 12 membered carbocyclyl, a 3 to 12 membered heterocyclyl, and C1-12 acyl, wherein each of C1-12 alkyl, C2-12 alkenyl, C2 alkynyl -12, 3-12 membered carbocyclyl, 3-12 membered heterocyclyl, and C1-12 acyl is optionally substituted with one or more R21; R21, at each occurrence, is independently selected from halo, -OH, -S(O)2R16, C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, C1-12 alkoxy, a 3- to 12-membered carbocyclyl, and a 3-12 membered heterocyclyl, wherein each of C1-12 alkyl, C2-12 alkenyl, C2-12 alkynyl, C1-12 alkoxy, 3-12 membered carbocyclyl and 3-12 membered heterocyclyl is optionally substituted with 1 to 3 groups selected from halo, -OH, C1-4 alkyl and C1-4 alkoxy; R16, at each occurrence, is independently selected from H or C1-12 alkyl; n is 0 or an integer from 1 to 8; p is 0, 1 or 2; and q is 1, 2, or 3, provided that the sum of p and q is neither 4 nor 5.
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http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID452205073
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02092
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP15166
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID453461001
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP64179
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02090
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCC3MQN0
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187265
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187749
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187979
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP15165
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419530548
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02087
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187748
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID424447
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02086
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ8ZWK7
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02106
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCO59494
http://rdf.ncbi.nlm.nih.gov/pubchem/gene/GID103254684
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419487933
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCNP_000509
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID146237053
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID414865715
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02095
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP04406
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID146237008
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02094
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCC3MWN0
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187752
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419584604
http://rdf.ncbi.nlm.nih.gov/pubchem/gene/GID2729
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02093
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID450586498
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187751
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419559581
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID457520514
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP15449
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID425744111
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02111
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID450586497
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135195058
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187750
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02110
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187757
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02108
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID450589924
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187274
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187756
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID416184629
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID146237106
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02107
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187273
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187755
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID146237104
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02115
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP08259
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187754
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02114
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187761
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419524740
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02113
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCC3N6F0
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP61880
http://rdf.ncbi.nlm.nih.gov/pubchem/gene/GID100136900
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02112
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID450459896
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID466895191
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP61879
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02120
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187758
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419524818
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID417438568
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02118
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCC3NEV8
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187765
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID417426693
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ91473
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02117
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID7369
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02116
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187763
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02124
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187762
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419545557
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135188000
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02123
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCC3NGT6
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187293
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID466942756
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID81503
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02122
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP08535
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID466942138
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135187768
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID424530997
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCF1RII7
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP67822
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP02121
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID448400843
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA0A0H3MAB5
http://rdf.ncbi.nlm.nih.gov/pubchem/taxonomy/TAXID49556

Total number of triples: 1230.