US2022041552A1PendingUtilityA1

Charged ion channel blockers and methods for use

Assignee: HARVARD COLLEGEPriority: Aug 3, 2015Filed: Oct 25, 2021Published: Feb 10, 2022
Est. expiryAug 3, 2035(~9 yrs left)· nominal 20-yr term from priority
C07D 211/34A61K 31/452A61P 17/04C07D 207/08A61P 43/00A61P 17/00A61K 45/06A61P 17/06C07D 211/14C07D 295/037A61P 29/00C07C 237/04A61P 9/10A61K 31/40C07D 207/16A61K 31/4425A61P 25/00A61P 19/04A61P 25/02A61K 31/14
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Claims

Abstract

The invention provides compounds, compositions, methods, and kits for the treatment of pain, itch, and neurogenic inflammation.

Claims

exact text as granted — not AI-modified
What is claimed is: 
     
         1 . A quaternary amine compound having formula (I) 
       
         
           
           
               
               
           
         
       
       wherein
 R 1F  and R 1G  together complete a heterocyclic ring having at least one nitrogen atom; and wherein 
 each of R 1A , R 1B , and R 1C  is independently selected from H, halogen, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, OR 1I , NR 1J R 1K , NR 1L C(O)R 1M , S(O)R 1N , SO 2 R 1O R 1P  SO 2 NR 1Q , R 1R , SO 3 R 1S CO 2 R 1T , C(O)R 1U , and C(O)NR 1V R 1W ; and each of R 1I , R 1J , R 1K , R 1L , R 1M , R 1N , R 1O , R 1P , R 1Q , R 1R , R 1S , R 1T , R 1U , R 1V , and R 1W  is, independently, selected from H, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, and C 2-4  heteroalkyl; wherein 
 X 1  is selected from —CR 1X R 1Y —, —NR 1Z C(O)—, —OC(O)—, —SC(O)—, —C(O)NR 1AA —, —CO 2 —, and —OC(S)—; and each of R 1X , R 1Y , R 1Z , and R 1AA  is independently selected from H, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, and C 2-4  heteroalkyl; wherein 
 each of R 1D  and R 1E  is independently selected from H, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, C 2-4  heteroalkyl, optionally substituted with halogen, C 3-8  cyclic alkyl, aryl, or heteroaryl, and C 3-6  cycloalkyl or R 1D  and R 1E  together form a 3-6-membered heterocyclic or heteroalkyl ring; and wherein 
 R 1H  is selected from C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, C 2-4  heteroalkyl, optionally substituted with halogen, C 3-8  cyclic alkyl, aryl, or heteroaryl, and C 3-6  cycloalkyl. 
 
     
     
         2 . The compound of  claim 1 , wherein X 1  is —NHC(O)—. 
     
     
         3 . The compound of  claim 1  or  2 , wherein each of R 1A  and R 1B  is independently selected from H, halogen, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, and NR 1J R 1K ; and each of R 1J  and R 1K  is independently selected from H, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, and C 2-4  heteroalkyl; or wherein at least one R 1C  is present. 
     
     
         4 . The compound of any one of  claims 1 - 3 , wherein R 1D  is C 1-4  alkyl optionally substituted with halogen, C 3-8  cyclic alkyl, aryl, or heteroaryl. 
     
     
         5 . The compound of any one of  claims 1 - 4 , wherein R 1E  is H or C 1-4  alkyl optionally substituted with halogen, C 3-8  cyclic alkyl, aryl, or heteroaryl. 
     
     
         6 . The compound of any one of  claims 1 - 5 , wherein R 1H  is C 1-4  alkyl optionally substituted with halogen, C 3-8  cyclic alkyl, aryl, or heteroaryl. 
     
     
         7 . The compound of any one of  claims 1 - 6 , wherein said compound is a compound in Table 1. 
     
     
         8 . The compound of  claim 7 , wherein said compound is 
       
         
           
           
               
               
           
         
       
     
     
         9 . The compound of  claim 7 , wherein said compound is 
       
         
           
           
               
               
           
         
       
     
     
         10 . A quaternary amine compound having formula (II) 
       
         
           
           
               
               
           
         
       
       wherein
 m is 0 or 1; wherein 
 each of R 2A , R 2B , and R 2C , is independently selected from H, halogen, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, CF 3 , OR 2H , NR 2I R 2J , NR 2K C(O)R 2L , S(O)R 2M , SO 2 R 2N R 2O , SO 2 NR 2P R 2Q , SO 3 R 2R , CO 2 R 2S , C(O)R 2T , and C(O)NR 2U R 2V ; and each of R 2H , R 2I , R 2J , R 2K , R 2L , R 2M , R 2N , R 2O , R 2P , R 2Q , R 2R , R 2S , R 2T , R 2U , and R 2V  can, independently, be selected from H, C 1-4  alkyl, C 2-4  alkonyl, C 2-4  alkynyl, and C 2-4  heteroalkyl; wherein 
 n is 0, 1, 2, 3, 4, 5, 6, 7, 8, or 9 and each R 2F  is, independently, selected from halogen, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, CF 3 , OR 2H , NR 2I R 2J , NR 2K C(O)R 2L , S(O)R 2M , SO 2 R 2N R 2O , SO 2 NR 2P R 2Q , SO 3 R 2R , CO 2 R 2S , C(O)R 2T , and C(O)NR 2U R 2V ; and each of R 2H , R 2I , R 2J , R 2K , R 2L , R 2M , R 2N , R 2O , R 2P , R 2Q , R 2R , R 2S , R 2T , R 2U , and R 2V  can, independently, be selected from H, C 1-4  alkyl, C 2-4  alkonyl, C 2-4  alkynyl, and C 2-4  heteroalkyl; and wherein 
 each of R 2D  and R 2E  is, independently, selected from C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, C 2-4  heteroalkyl, optionally substituted with halogen, cyclic alkyl, aryl, or heteroaryl, and C 3-6  cycloalkyl 
 
     
     
         11 . The compound of  claim 10 , wherein each of R 2D  and R 2E  is C 1-4  alkyl optionally substituted with halogen, cyclic alkyl, aryl, or heteroaryl. 
     
     
         12 . The compound of  claim 10  or  11 , wherein each of R 2A , R 2B , and R 2C  is independently selected from H, halogen, C 1-4  alkyl, and CF 3 ; or wherein at least one R 2C  is present; or wherein at least one R 2F  is present. 
     
     
         13 . The compound of any one of  claims 10 - 12 , wherein said compound is a compound in Table 2. 
     
     
         14 . The compound of  claim 13 , wherein said compound is 
       
         
           
           
               
               
           
         
       
     
     
         15 . A quaternary amine compound having general formula (III) 
       
         
           
           
               
               
           
         
       
       wherein
 n is 0, 1, 2, or 3; wherein 
 each of R 3A , R 3B , and R 3C  is independently selected from H, halogen, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, OR 3I , NR 3J R 3K , NR 3L C(O)R 3M , S(O)R 3N , SO 2 R 3O R 3P , SO 2 NR 3Q R 3R , SO 3 R 3S , CO 2 R 3T , C(O)R 3U , and C(O)NR 3V R 3W ; and each of R 3I , R 3J , R 3K , R 3L , R 3M , R 3N , R 3O , R 3P , R 3Q , R 3R , R 3S , R 3T , R 3U , R 3V , and R 3W  is independently selected from H, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, and C 2-4  heteroalkyl; wherein 
 X 3  is selected from —NHC(O)—, and —C(O)NH; wherein 
 each of R 3D  and R 3E  can, independently, be selected from H, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, C 2-4  heteroalkyl, optionally substituted with halogen, cyclic alkyl, aryl, or heteroaryl, and C 3-6 cycloalkyl, or R 1D  and R 1E  together can form a 3-6-membered heterocyclic or heteroalkyl ring; and wherein 
 each of R 3F , R 3G , and R 3H  is independently selected from C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, C 2-4  heteroalkyl, optionally substituted with halogen, cyclic alkyl, aryl, or heteroaryl, and C 3-6  cycloalkyl 
 
     
     
         16 . The compound of  claim 15 , wherein X 3  is —NHC(O)— 
     
     
         17 . The compound of  claim 15  or  16 , wherein n is 0 or 1. 
     
     
         18 . The compound of any one of  claims 15 - 17 , wherein each of R 3A , R 3B , and R 3C  is independently selected from H, C 1-4  alkyl, and NR 3J R 3K ; and each of R 3J  and R 3K  is independently selected from H, C 1-4  alkyl, C 2-4  alkenyl, C 2-4  alkynyl, and C 2-4  heteroalkyl. 
     
     
         19 . The compound of any one of  claims 15 - 18 , wherein each of R 3E , R 3F , and R 3G  is independently selected from C 1-4  alkyl optionally substituted with halogen, cyclic alkyl, aryl, or heteroaryl, and C 3-6  cycloalkyl. 
     
     
         20 . The compound of any one of  claims 15 - 19 , wherein said compound is any one of Compound Nos. 21-24 in Table 3. 
     
     
         21 . The compound of any one of  claims 15 - 20 , wherein said compound is 
       
         
           
           
               
               
           
         
       
     
     
         22 . A composition comprising the quaternary amine compound of any one of  claims 1 - 21  and a pharmaceutically acceptable excipient. 
     
     
         23 . The composition of  claim 21 , wherein said composition is formulated for oral, intravenous, intramuscular, rectal, cutaneous, subcutaneous, topical, transdermal, sublingual, nasal, inhalation, vaginal, intrathecal, epidural, or ocular administration. 
     
     
         24 . A method for treating pain, itch, or a neurogenic inflammatory disorder in a patient, said method comprising administering to said patient a composition comprising the quaternary amine compound of any one of  claims 1 - 21 , wherein said compound inhibits one or more voltage-gated ion channels present in nociceptors and/or pruriceptors when applied to the internal face of said channels but does not substantially inhibit said channels when applied to the external face of said channels, and wherein said compound is capable of entering nociceptors or pruriceptors through a channel-forming receptor when said receptor is activated and inhibiting said one or more voltage-gated ion channels present in said nociceptors. 
     
     
         25 . The method of  claim 24 , wherein said channel-forming receptor is a transient receptor potential ion channel (TRP channel-forming receptor) 
     
     
         26 . The method of  claim 24  or  25 , wherein said TRP channel-forming receptor is activated by an exogenous or endogenous agonist. 
     
     
         27 . The method of  claim 25  or  26 , wherein said TRP channel-forming receptor is TRPA1 or TRPV1. 
     
     
         28 . The method of  claim 27 , wherein said compound is capable of entering nociceptors or pruriceptors through said TRPA1 or TRPV1 receptor when said receptor is activated. 
     
     
         29 . The method of  claim 24 , wherein said compound inhibits voltage-gated sodium channels. 
     
     
         30 . The method of  claim 24 , wherein said pain is selected from the group consisting of neuropathic pain, inflammatory pain, nociceptive pain, pain due to infections, and procedural pain. 
     
     
         31 . The method of  claim 24 , wherein said neurogenic inflammatory disorder is selected from the group consisting of allergic inflammation, asthma, chronic cough, conjunctivitis, rhinitis, psoriasis, inflammatory bowel disease, and interstitial cystitis, atopic dermatitis. 
     
     
         32 . The method of  claim 24 , wherein said composition comprises a quaternary amine compound selected from the group consisting of:

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