Patent ID: 11905274
Assignee: BEIJING TIDE PHARMACEUTICAL CO., LTD.
Field: Organic fine chemistry (Chemistry)
Classification: CPC C  A | IPC C

Claim 0:
1. A compound or a pharmaceutically acceptable salt, ester, stereoisomer, polymorph, solvate, N-oxide, isotopically labeled compound, or prodrug thereof, wherein the compound has a structure of formula (I):, wherein:
X1 and X2 are each independently CR10 or N;
R1a and R1b are each independently selected from the group consisting of C1-8 alkyl, C2-8 alkenyl and C2-6 alkynyl, wherein any one of the CH2 moieties in the C1-8 alkyl, C2-8 alkenyl and C2-8 alkynyl is optionally replaced with O or S; saturated or partially unsaturated C3-10 cyclic hydrocarbyl group; saturated or partially unsaturated 3- to 10-membered monocyclic heterocyclic group; C6-10 aryl; 5- to 14-membered heteroaryl; —C1-6 alkylene-saturated or partially unsaturated C3-10 cyclic hydrocarbyl group, —C1-6 alkylene-saturated or partially unsaturated 3- to 10-membered heterocyclic group; —C1-6 alkylene-C6-10 aryl; and —C1-6 alkylene-(5- to 14-membered heteroaryl);
R1b and R2b are each independently selected from the group consisting of H, C1-8 alkyl, C2-8 alkenyl and C2-8 alkynyl, wherein any one of the CH2 moieties in the C1-8 alkyl, C2-8 alkenyl and C2-8 alkynyl is optionally replaced with O or S; saturated or partially unsaturated C3-10 cyclic hydrocarbyl group; saturated or partially unsaturated 3- to 10-membered heterocyclic group; C6-10 aryl; 5- to 14-membered heteroaryl; —C1-6 alkylene-saturated or partially unsaturated C3-10 cyclic hydrocarbyl group, —C1-6 alkylene-saturated or partially unsaturated 3- to 10-membered heterocyclic group; —C1-6 alkylene-C6-10 aryl; and —C1-6 alkylene-(5- to 14-membered heteroaryl);
provided that:
R1a and R1b are each independently the C3-10 cyclic hydrocarbyl group, 3- to 10-membered heterocyclic group, C6-10 aryl or 5- to 14-membered heteroaryl, and an available ring atom on R1a is connected to an available ring atom on R1b through Y group, such that R1a and R1b together with X1 to which they are attached form an optionally substituted saturated or partially unsaturated fused ring system Q1 containing 3 or more rings; and/or R2a and R2b are each independently the C3-10 cyclic hydrocarbyl group, 3- to 10-membered heterocyclic group, C6-10 aryl or 5- to 14-membered heteroaryl, and an available ring atom on R2a is connected to an available ring atom on R2b through Z group, such that R2a and R2b together with X2 to which they are attached form an optionally substituted saturated or partially unsaturated fused ring system Q2 containing 3 or more rings;
the fused ring system Q1 has a structure of formula (a):, wherein
ring A and ring B are each independently C3-10 cyclic hydrocarbyl group, 3- to 10-membered heterocyclic group, C6-10 aryl or 5- to 14-membered heteroaryl;
“” means a single bond or a double bond; and
the fused ring system Q2 has a structure of formula (b):, wherein
ring C and ring D are each independently C3-10 cyclic hydrocarbyl group, 3- to 10-membered heterocyclic group, C6-10 aryl or 5- to 14-membered heteroaryl;
“” means a single bond or a double bond; and

R5a, R5b, R6a and R6b, at each occurrence, are each independently R10;
R7 and R8 are each independently absent or R10;
m, n, p and q are each independently 0, 1, 2 or 3;
Y and Z are each independently selected from the group consisting of a single bond; NR10; C1-3 alkylene, wherein 1 or 2 CH2 moieties are optionally replaced with a group independently selected from O, S, or NR10; and C2-3 alkenylene, in which any one of the CH moieties forming a C═C double bond is optionally replaced with N; and wherein the C1-3 alkylene and C2-3 alkenylene are each optionally substituted by 1, 2, 3 or more groups selected from the group consisting of halogen, OH, —NR11R12, cyano, nitro, C1-6 alkyl, C1-6 alkyl-O—, epoxy and oxo;
X3 and X4 are each independently C(═O);
R3 is selected from the group consisting of 5 to 14-membered heteroaryl, —C(═O)OR11, —C(═O)NR11—OH, —C(═O)NR11S(═O)yNR11R12, —C(═O)NR11S(═O)yR12, and —S(═O)yNR11C(═O)OR12;
R4 is selected from the group consisting of H, C1-6 alkyl, and —C(═O)OR11;
R10 is selected from the group consisting of H, C1-6 alkyl, C3-10 cyclic hydrocarbyl group, —OR11, —SR11, —C(═O)OR11 and —NR11R12;
R11 and R12, at each occurrence, are each independently selected from the group consisting of H, C1-6 alkyl, C3-10 cyclic hydrocarbyl group, 3- to 10-membered heterocyclic group, C6-10 aryl, 5- to 14-membered heteroaryl and C6-12 aralkyl;
the above alkyl, alkylene, alkenyl, alkenylene, alkynyl, cyclic hydrocarbyl group, heterocyclic group, aryl, heteroaryl and aralkyl, at each occurrence, are each optionally substituted by 1, 2, 3 or more R13, wherein R13, at each occurrence, is independently selected from the group consisting of halogen, cyano, nitro, C1-6 alkyl, C3-10 cyclic hydrocarbyl group, 3- to 10-membered heterocyclic group, C6-10 aryl, 5- to 14-membered heteroaryl, C6-12 aralkyl, —OR11, —SR11, —OC(═O)R11, —C(═O)R11, —C(═O)OR11, —C(═O)NR11R12, —C(═O)NR11S(═O)yNR11R12, —C(═O)NR11S(═O)yR12, —S(═O)yR11, —S(═O)yOR11, —S(═O)yNR11R12, —S(═O)yNR11S(═O)zOR12, —S(═O)yNR11C(═O)R12, —S(═O)yNR11C(═O)OR12, —NR11R12, —NR11—C(═O)R12, —NR11—C(═O)OR12, —NR11—S(═O)y—R12, —NR11—C(═O)—NR11R12, —C1-6 alkylene-OR11, —C1-6 alkylene-OC(═O)R11, —C1-6 alkylene-C(═O)OR11, —C1-6 alkylene-S(═O)xR11, —C1-6 alkylene-S(═O)yOR11, —C1-6 alkylene-OC(═O)NR11R12, —C1-6 alkylene-C(═O)NR11R12, —C1-6 alkylene-C(═O)NR11—S(═O)yR12, —C1-6 alkylene-NR11—C(═O)NR11R12, —C1-6 alkylene-OS(═O)yR11, —C1-6, alkylene-OS(═O)yNR11R12, —C1-6 alkylene-S(═O)yNR11R12, —C1-6 alkylene-NR11—S(═O)yNR11R12, —C1-6 alkylene-NR11R12 and —O—C1-6 alkylene-NR11R12; and wherein the alkyl, alkylene, cyclic hydrocarbyl group, heterocyclic group, aryl, heteroaryl and aralkyl recited for the substituent R13 are optionally further substituted by 1, 2, 3 or more substituents independently selected from the group consisting of halogen, OH, oxo, amino, cyano, nitro, C1-6 alkyl, halogenated C1-6 alkyl, C3-6 cyclic hydrocarbyl group, 3- to 10-membered heterocyclic group, C6-10 aryl, 5- to 14-membered heteroaryl and C6-12 aralkyl; and wherein the heterocyclic group, aryl or heteroaryl when being a substituent is connected to the rest of the molecule through a ring C atom, or where possible, through a ring N atom;
x, at each occurrence, is independently 0, 1 or 2;
y and z, at each occurrence, are each independently 2; and
provided that:
when R1a and R1b are each independently C1-8 alkyl, Z is not —CH2—, —CH2—CH2— or —CH2—CH2—CH2—; or when R2a and R2b are each independently C1-8 alkyl, Y is not —CH2—, —CH2—CH2— or —CH2—CH2—CH2—.