Agatolimod sodium

For research use only. Not for therapeutic Use.

  • CAT Number: I042289
  • CAS Number: 541547-35-7
  • Molecular Weight: 8204.00
  • Purity: ≥95%
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Agatolimod sodium(Cat No.:I042289), also known as IPI-145, is an oral small molecule inhibitor of phosphoinositide 3-kinase (PI3K) delta and gamma isoforms, which play crucial roles in immune cell signaling. By inhibiting these isoforms, agatolimod sodium helps to regulate immune responses, making it a promising candidate for treating autoimmune diseases and certain cancers. It has shown potential in managing diseases like rheumatoid arthritis, inflammatory bowel disease (IBD), and hematologic malignancies. Preclinical and clinical trials have demonstrated its ability to modulate immune activity and inhibit tumor growth, offering therapeutic potential in immunotherapy.


Catalog Number I042289
CAS Number 541547-35-7
Purity ≥95%
IUPAC Name tricosasodium;1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI InChI=1S/C236H303N70O133P23S23.23Na/c1-91-47-287(223(333)269-193(91)309)157-23-105(308)130(394-157)62-370-440(347,463)418-107-25-158(283-19-15-153(237)253-219(283)329)395-131(107)63-372-457(364,480)434-123-41-175(301-85-247-181-187(301)257-213(241)263-207(181)323)412-148(123)80-388-452(359,475)429-118-36-170(296-56-100(10)202(318)278-232(296)342)400-136(118)68-376-442(349,465)419-109-27-160(285-21-17-155(239)255-221(285)331)397-133(109)65-374-459(366,482)436-125-43-177(303-87-249-183-189(303)259-215(243)265-209(183)325)413-149(125)81-389-455(362,478)432-121-39-173(299-59-103(13)205(321)281-235(299)345)407-143(121)75-383-447(354,470)424-114-32-166(292-52-96(6)198(314)274-228(292)338)403-139(114)71-379-445(352,468)422-113-31-165(291-51-95(5)197(313)273-227(291)337)406-142(113)74-382-450(357,473)427-117-35-169(295-55-99(9)201(317)277-231(295)341)410-146(117)78-386-462(369,485)439-128-46-180(306-90-252-186-192(306)262-218(246)268-212(186)328)416-152(128)84-392-454(361,477)431-120-38-172(298-58-102(12)204(320)280-234(298)344)402-138(120)70-378-444(351,467)421-110-28-161(286-22-18-156(240)256-222(286)332)398-134(110)66-375-460(367,483)437-126-44-178(304-88-250-184-190(304)260-216(244)266-210(184)326)414-150(126)82-390-456(363,479)433-122-40-174(300-60-104(14)206(322)282-236(300)346)408-144(122)76-384-448(355,471)425-115-33-167(293-53-97(7)199(315)275-229(293)339)404-140(115)72-380-446(353,469)423-112-30-164(290-50-94(4)196(312)272-226(290)336)405-141(112)73-381-449(356,472)426-116-34-168(294-54-98(8)200(316)276-230(294)340)409-145(116)77-385-461(368,484)438-127-45-179(305-89-251-185-191(305)261-217(245)267-211(185)327)415-151(127)83-391-453(360,476)430-119-37-171(297-57-101(11)203(319)279-233(297)343)401-137(119)69-377-443(350,466)420-108-26-159(284-20-16-154(238)254-220(284)330)396-132(108)64-373-458(365,481)435-124-42-176(302-86-248-182-188(302)258-214(242)264-208(182)324)411-147(124)79-387-451(358,474)428-111-29-163(289-49-93(3)195(311)271-225(289)335)399-135(111)67-371-441(348,464)417-106-24-162(393-129(106)61-307)288-48-92(2)194(310)270-224(288)334;;;;;;;;;;;;;;;;;;;;;;;/h15-22,47-60,85-90,105-152,157-180,307-308H,23-46,61-84H2,1-14H3,(H,347,463)(H,348,464)(H,349,465)(H,350,466)(H,351,467)(H,352,468)(H,353,469)(H,354,470)(H,355,471)(H,356,472)(H,357,473)(H,358,474)(H,359,475)(H,360,476)(H,361,477)(H,362,478)(H,363,479)(H,364,480)(H,365,481)(H,366,482)(H,367,483)(H,368,484)(H,369,485)(H2,237,253,329)(H2,238,254,330)(H2,239,255,331)(H2,240,256,332)(H,269,309,333)(H,270,310,334)(H,271,311,335)(H,272,312,336)(H,273,313,337)(H,274,314,338)(H,275,315,339)(H,276,316,340)(H,277,317,341)(H,278,318,342)(H,279,319,343)(H,280,320,344)(H,281,321,345)(H,282,322,346)(H3,241,257,263,323)(H3,242,258,264,324)(H3,243,259,265,325)(H3,244,260,266,326)(H3,245,261,267,327)(H3,246,262,268,328);;;;;;;;;;;;;;;;;;;;;;;/q;23*+1/p-23/t105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,440?,441?,442?,443?,444?,445?,446?,447?,448?,449?,450?,451?,452?,453?,454?,455?,456?,457?,458?,459?,460?,461?,462?;;;;;;;;;;;;;;;;;;;;;;;/m0......................./s1
InChIKey QUWFSKKBMDKAHK-SBOJBMMISA-A
SMILES CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)([O-])O[C@H]3C[C@@H](O[C@@H]3COP(=S)([O-])O[C@H]4C[C@@H](O[C@@H]4COP(=S)([O-])O[C@H]5C[C@@H](O[C@@H]5COP(=S)([O-])O[C@H]6C[C@@H](O[C@@H]6COP(=S)([O-])O[C@H]7C[C@@H](O[C@@H]7COP(=S)([O-])O[C@H]8C[C@@H](O[C@@H]8COP(=S)([O-])O[C@H]9C[C@@H](O[C@@H]9COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1CO)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Reference

[1]. Yan L, et al. CpG-ODN 7909 increases radiation sensitivity of radiation-resistant human lung adenocarcinoma cell line by overexpression of Toll-like receptor 9. Cancer Biother Radiopharm. 2013 Sep;28(7):559-64.
[Content Brief]

[2]. Cooper CL, et al. Safety and immunogenicity of CPG 7909 injection as an adjuvant to Fluarix influenza vaccine. Vaccine. 2004 Aug 13;22(23-24):3136-43.
[Content Brief]

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