# US 12,758,659 B2 · PSMA inhibitor, compound and application > Agents: this data is available as JSON from the patentgrep API and MCP server — see https://patentgrep.com/llms.txt - Number: US 12,758,659 B2 - Document ID: US12758659B2 - Status: Granted - Kind: B2 - Application number: 18/019,758 - Filed: 2020-01-21 - Published: 2023-12-28 - Granted: 2026-10-13 - Earliest claimed: 2019-02-03 - Assignees: Peking University First Hospital - Applicants: Peking University First Hospital - Inventors: Xing Yang; Zhi Yang; Zhen Xi; Futao Liu; Xiaojiang Duan; Ning Zhang - Web page: https://patentgrep.com/patent/US12758659B2 ## CPC - A61K 51/0402: {carboxylic acid carriers, fatty acids (amino acids A61K51/0406)} - A61K 45/06: Mixtures of active ingredients without chemical characterisation, e.g. antiphlogistics and cardiaca - C07B 59/001: {Acyclic or carbocyclic compounds} - C07C 275/16: being further substituted by carboxyl groups - C07D 311/18: substituted otherwise than in position 3 or 7 - A61K 2123/00: Preparations for testing in vivo - C07B 2200/05: Isotopically modified compounds, e.g. labelled - A61K: PREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES (devices or methods specially adapted for bringing pharmaceutical products into particular physical or administering forms A61J3/00; chemical aspects of, or use of materials for deodorisation of air, for disinfection or sterilisation, or for bandages, dressings, absorbent pads or surgical articles A61L; soap compositions C11D) - C07B: GENERAL METHODS OF ORGANIC CHEMISTRY; APPARATUS THEREFOR (preparation of carboxylic acid esters by telomerisation C07C67/47; telomerisation C08F) - C07C: ACYCLIC OR CARBOCYCLIC COMPOUNDS - C07D: HETEROCYCLIC COMPOUNDS (macromolecular compounds C08) ## Abstract The present disclosure belongs to the technical field of biomedicine, and specifically relates to a PSMA inhibitor, compound and use thereof. The PSMA inhibitors having a novel core structure provided in the present disclosure has a wide range of potential applications. ## Claims ### Claim 1 A compound, which a compound having the structure of Formula I or a pharmaceutically acceptable salt thereof, wherein Q1, Q2 and Q3 are each independently H, a negative charge, a metal ion, or a protecting group. ### Claim 2 (depends on 1) A PSMA inhibitor, which is a derivative of the compound of claim 1, wherein the PSMA inhibitor is a derivative formed after one hydrogen atom on the carbon atom marked with * in Formula I is substituted, and after the hydrogen atom is substituted, the carbon atom marked with * has an S-chiral conformation, wherein Q1, Q2 and Q3 are each independently H, a negative charge, a metal ion, or a protecting group. ### Claim 3 A compound, which is at least one of a compound having the structure of Formula II or a pharmaceutically acceptable salt thereof, wherein Q1, Q2 and Q3 are each independently H, a negative charge, a metal ion, or a protecting group, and R is a functional group. ### Claim 4 (depends on 3) The compound according to claim 3, wherein the functional group R is a group having one of tracing, delivery, imaging, or therapeutic functions. ### Claim 5 (depends on 4) The compound according to claim 4, which is at least one of a compound having the structure of Formula III or a pharmaceutically acceptable salt thereof, wherein Q1, Q2 and Q3 are each independently H, a negative charge, a metal ion, or a protecting group; a is an integer selected from 0, 1, 2, 3, 4 or 5; R1 and R2 are each independently H, a linear or branched C1-C4 alkyl, or a group having the structure of Formula IV; in Formula IV, R3 is H, or a linear or branched C1-C4 alkyl; L is a chemical bond, or a linear or branched C1-C4 alkyl; Z is selected from the group consisting of a group containing at least one nuclide suitable for nuclide imaging and/or radiotherapy, and a group containing at least one photosensitive dye suitable for optical imaging and/or photodynamic therapy. ### Claim 6 (depends on 5) The compound according to claim 5, wherein the compound having the structure of Formula III is selected from the group consisting of ### Claim 7 (depends on 3) A method for imaging or treating one or more types of tumors or cells expressing prostate membrane specific antigen (PMSA) in a subject, comprising contacting the tumors or cells with an effective amount of the compound according to claim 3. ### Claim 8 (depends on 7) The method according to claim 7, wherein the one or more types of tumors or cells expressing PSMA are selected from the group consisting of prostate tumors or cells, metastatic prostate tumors or cells, lung tumors or cells, kidney tumors or cells, liver tumors or cells, glioblastomas, pancreatic tumors or cells, bladder tumors or cells, sarcomas, melanomas, breast tumors or cells, colon tumors or cells, germ cells, pheochromocytoma, esophageal tumors or cells, and gastric tumors or cells. ### Claim 9 (depends on 7) The method according to claim 7, wherein the one or more types of tumors or cells expressing PSMA are in vitro, in vivo, or ex vivo. ### Claim 10 (depends on 3) The compound according to claim 3, wherein the functional group R is selected from the group consisting of a radionuclide-containing group, an optical imaging and/or optical therapeutic group, a group having a magnetic resonance effect, an immunological group, a medication, and a group formed by a delivery system thereof. ### Claim 11 (depends on 10) The compound according to claim 10, wherein the medication comprises at least one of a chemical medication, a nucleic acid medication, or a protein medication. ### Claim 12 (depends on 11) The compound according to claim 11, wherein the nucleic acid medication comprises an siRNA medication. ### Claim 13 (depends on 10) The compound according to claim 10, wherein the radionuclide is selected from the group consisting of 18F, 11C, 68Ga, 124I, 89Zr, 64Cu, 86Y, 99mTc, 111In, 123I, 90Y, 125I, 67Ga, 131I, 177Lu, 211At, 153Sm, 186Re, 188Re, 67Cu, 212Pb, 225Ac, 213Bi, 212Bi, and 212Pb. ### Claim 14 (depends on 5) The compound according to claim 5, wherein Z is selected from the group consisting of a substituted or unsubstituted C6-C16 aryl and a substituted or unsubstituted C3-C16 heteroaryl. ### Claim 15 (depends on 14) The compound according to claim 14, wherein the substitution is at least one of a halogen substitution, a linear or branched C1-C4 alkyl substitution, an amino substitution, or a carbonyl substitution.