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Substance Name: Trecovirsen sodium [USAN]
RN: 170274-79-0
UNII: IZS5WP04OR
InChIKey: MTLZEBXFKNNOHO-UHFFFAOYSA-N

Note

  • A 25-mer antisense oligonucleotide phosphorothioate used as a therapeutic agents for AIDS; may block the translation of gag mRNA& disrupt the secondary structure of RNA.

Molecular Formula

  • C237-H286-N72-Na24-O131-P24-S24

Molecular Weight

  • 7776.39
 

Classification Code

  • Antiviral
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Names and Synonyms

Name of Substance

  • Trecovirsen sodium [USAN]

Synonyms

  • Deoxyribonucleic acid d(P-thio)(T-C-T-T-C-C-T-C-T-C-T-C-T-A-C-C-C-A-C-G-C-T-C-T-C), tetracosasodium salt
  • GEM 91
  • Trecovirsen sodium
  • UNII-IZS5WP04OR

Systematic Name

  • Deoxyribonucleic acid, d(P-thio)(T-C-T-T-C-C-T-C-T-C-T-C-T-A-C-C-C-A-C-G-C-T-C-T-C), tetracosasodium salt

Registry Numbers

CAS Registry Number

  • 170274-79-0

FDA UNII

  • IZS5WP04OR

System Generated Number

  • 0170274790

Structure Descriptors

InChI

1S/C237H310N72O131P24S24/c1-100-61-298(229(335)276-205(100)312)172-36-109(311)135(393-172)71-368-441(344,465)418-111-38-174(286-24-11-160(239)262-217(286)323)394-136(111)72-373-454(357,478)435-128-55-191(304-67-106(7)211(318)282-235(304)341)412-154(128)90-387-461(364,485)437-130-57-193(306-69-108(9)213(320)284-237(306)343)411-153(130)89-386-446(349,470)422-115-42-178(290-28-15-164(243)266-221(290)327)396-138(115)74-371-444(347,468)420-113-40-176(288-26-13-162(241)264-219(288)325)398-140(113)76-375-456(359,480)431-124-51-187(300-63-102(3)207(314)278-231(300)337)407-149(124)85-383-448(351,472)424-117-44-180(292-30-17-166(245)268-223(292)329)400-142(117)78-376-457(360,481)432-125-52-188(301-64-103(4)208(315)279-232(301)338)408-150(125)86-384-449(352,473)425-118-45-181(293-31-18-167(246)269-224(293)330)401-143(118)79-377-458(361,482)433-126-53-189(302-65-104(5)209(316)280-233(302)339)409-151(126)87-385-450(353,474)426-119-46-182(294-32-19-168(247)270-225(294)331)402-144(119)80-378-460(363,484)436-129-56-192(305-68-107(8)212(319)283-236(305)342)413-155(129)91-388-464(367,488)439-132-59-195(308-98-259-198-201(252)255-96-257-203(198)308)415-157(132)93-390-451(354,475)427-120-47-183(295-33-20-169(248)271-226(295)332)397-139(120)75-372-443(346,467)419-112-39-175(287-25-12-161(240)263-218(287)324)395-137(112)73-370-445(348,469)421-114-41-177(289-27-14-163(242)265-220(289)326)404-146(114)82-380-462(365,486)438-131-58-194(307-97-258-197-200(251)254-95-256-202(197)307)414-156(131)92-389-452(355,476)428-122-49-185(297-35-22-171(250)273-228(297)334)405-147(122)83-381-463(366,487)440-133-60-196(309-99-260-199-204(309)274-215(253)275-214(199)321)416-158(133)94-391-453(356,477)429-121-48-184(296-34-21-170(249)272-227(296)333)403-145(121)81-379-459(362,483)434-127-54-190(303-66-105(6)210(317)281-234(303)340)410-152(127)88-382-447(350,471)423-116-43-179(291-29-16-165(244)267-222(291)328)399-141(116)77-374-455(358,479)430-123-50-186(299-62-101(2)206(313)277-230(299)336)406-148(123)84-369-442(345,466)417-110-37-173(392-134(110)70-310)285-23-10-159(238)261-216(285)322/h10-35,61-69,95-99,109-158,172-196,310-311H,36-60,70-94H2,1-9H3,(H,344,465)(H,345,466)(H,346,467)(H,347,468)(H,348,469)(H,349,470)(H,350,471)(H,351,472)(H,352,473)(H,353,474)(H,354,475)(H,355,476)(H,356,477)(H,357,478)(H,358,479)(H,359,480)(H,360,481)(H,361,482)(H,362,483)(H,363,484)(H,364,485)(H,365,486)(H,366,487)(H,367,488)(H2,238,261,322)(H2,239,262,323)(H2,240,263,324)(H2,241,264,325)(H2,242,265,326)(H2,243,266,327)(H2,244,267,328)(H2,245,268,329)(H2,246,269,330)(H2,247,270,331)(H2,248,271,332)(H2,249,272,333)(H2,250,273,334)(H2,251,254,256)(H2,252,255,257)(H,276,312,335)(H,277,313,336)(H,278,314,337)(H,279,315,338)(H,280,316,339)(H,281,317,340)(H,282,318,341)(H,283,319,342)(H,284,320,343)(H3,253,274,275,321)

InChIKey

MTLZEBXFKNNOHO-UHFFFAOYSA-N

Smiles

O([P@@](=O)(S)O[C@@H]1[C@@H](CO[P@@](=O)(S)O[C@@H]2[C@@H](CO[P@@](=O)(S)O[C@@H]3[C@@H](CO[P@@](O[C@@H]4[C@@H](CO[P@@](O[C@@H]5[C@@H](CO[P@@](O[C@@H]6[C@@H](CO[P@@](O[C@@H]7C[C@@H](n8c9c(c([nH]c(n9)N)=O)nc8)O[C@@H]7CO[P@@](O[C@@H]7[C@@H](O[C@@H](C7)n7c(nc(N)cc7)=O)CO[P@@](O[C@@H]7[C@@H](O[C@@H](C7)n7c([nH]c(=O)c(c7)C)=O)CO[P@@](O[C@@H]7[C@@H](O[C@@H](C7)n7c(nc(cc7)N)=O)CO[P@@](=O)(S)O[C@@H]7[C@@H](O[C@@H](C7)n7c([nH]c(=O)c(c7)C)=O)CO[P@@](O[C@@H]7[C@@H](O[C@@H](C7)n7c(nc(N)cc7)=O)CO)(=O)S)(=O)S)(=O)S)(=O)S)(=O)S)O[C@@H](n7c(nc(N)cc7)=O)C6)(=O)S)O[C@@H](n6c7c(c(ncn7)N)nc6)C5)(=O)S)O[C@@H](n5c(nc(N)cc5)=O)C4)(=O)S)O[C@@H](C3)n3c(nc(N)cc3)=O)O[C@@H](n3c(nc(N)cc3)=O)C2)O[C@@H](n2c3c(c(ncn3)N)nc2)C1)C[C@@H]1[C@@H](C[C@@H](O1)n1c([nH]c(=O)c(c1)C)=O)O[P@@](OC[C@@H]1[C@@H](C[C@@H](O1)n1c(nc(N)cc1)=O)O[P@@](OC[C@@H]1[C@@H](C[C@@H](O1)n1c([nH]c(c(c1)C)=O)=O)O[P@@](OC[C@@H]1[C@@H](C[C@@H](O1)n1ccc(nc1=O)N)O[P@@](OC[C@@H]1[C@@H](C[C@@H](O1)n1c([nH]c(=O)c(c1)C)=O)O[P@@](OC[C@@H]1[C@@H](C[C@@H](O1)n1c(nc(N)cc1)=O)O[P@@](OC[C@@H]1[C@@H](C[C@@H](n2c([nH]c(=O)c(c2)C)=O)O1)O[P@@](OC[C@@H]1[C@@H](C[C@@H](O1)n1c(nc(N)cc1)=O)O[P@@](S)(OC[C@@H]1[C@@H](C[C@@H](O1)n1c(nc(N)cc1)=O)O[P@@](OC[C@@H]1[C@@H](C[C@@H](O1)n1cc(C)c([nH]c1=O)=O)O[P@@](OC[C@@H]1[C@@H](C[C@@H](O1)n1c([nH]c(=O)c(c1)C)=O)O[P@@](OC[C@@H]1[C@@H](C[C@@H](O1)n1c(nc(N)cc1)=O)O[P@@](OC[C@@H]1O[C@@H](n2c([nH]c(=O)c(c2)C)=O)C[C@@H]1O)(=O)S)(=O)S)(=O)S)(=O)S)=O)(=O)S)(=O)S)(=O)S)(=O)S)(=O)S)(=O)S)(=O)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LDLo intravenous 20mg/kg (20mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Antisense Research and Development. Vol. 4, Pg. 201, 1994.