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Substance Name: Alicaforsen [INN]
RN: 185229-68-9
UNII: J8435V445B
InChIKey: ZMJWRJKGPUDEOX-LMXUULCNSA-A

Note

  • An ICAM-1 inhibitor; a phosphorothioate oligonucleotide.

Molecular Formula

  • Unspecified

Molecular Weight

  • 6349.08
 

Classification Codes

  • Drug / Therapeutic Agent
  • Gastrointestinal Agents
  • Immunologic Factors
  • Immunosuppressive Agents
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Names and Synonyms

Name of Substance

  • Alicaforsen [INN]
  • ISIS 2302

Synonyms

  • Alicaforsen
  • Deoxyribonucleic acid, d((R)-P-thio)(G-C-C-C-A-A-G-C-T-G-G-C-A-T-C-C-G-T-C-A)
  • Intercellular adhesion molecule-1 antisense oligodeoxynucleotide
  • ISIS 2302
  • ISIS-2302
  • UNII-J8435V445B

Systematic Name

  • DNA, d((R)-P-thio)(G-C-C-A-A-G-C-T-G-G-C-A-T-C-C-G-T-C-A)

Registry Numbers

CAS Registry Number

  • 185229-68-9

FDA UNII

  • J8435V445B

System Generated Number

  • 0185229689

Structure Descriptors

InChI

1S/C192H244N75O98P19S19/c1-76-40-256(190(286)245-169(76)270)136-30-89(357-376(299,395)314-50-106-84(25-131(334-106)251-15-7-122(196)230-185(251)281)351-370(293,389)312-49-105-87(28-134(333-105)254-18-10-125(199)233-188(254)284)355-374(297,393)323-59-115-97(38-145(343-115)266-74-225-154-167(266)238-180(208)243-175(154)276)364-381(304,400)319-55-111-90(31-137(339-111)257-41-77(2)170(271)246-191(257)287)356-375(298,394)313-46-102-81(22-128(330-102)248-12-4-119(193)227-182(248)278)348-366(289,385)308-44-100-79(269)20-127(328-100)259-67-218-147-156(201)210-63-214-160(147)259)110(338-136)54-318-380(303,399)359-92-33-139(260-68-219-148-157(202)211-64-215-161(148)260)340-112(92)56-320-373(296,392)354-88-29-135(255-19-11-126(200)234-189(255)285)336-108(88)52-316-379(302,398)363-96-37-144(265-73-224-153-166(265)237-179(207)242-174(153)275)346-118(96)62-326-384(307,403)365-98-39-146(267-75-226-155-168(267)239-181(209)244-176(155)277)344-116(98)60-324-377(300,396)358-91-32-138(258-42-78(3)171(272)247-192(258)288)337-109(91)53-317-371(294,390)352-85-26-132(252-16-8-123(197)231-186(252)282)335-107(85)51-315-378(301,397)362-95-36-143(264-72-223-152-165(264)236-178(206)241-173(152)274)345-117(95)61-325-383(306,402)361-94-35-141(262-70-221-150-159(204)213-66-217-163(150)262)342-114(94)58-322-382(305,401)360-93-34-140(261-69-220-149-158(203)212-65-216-162(149)261)341-113(93)57-321-372(295,391)353-86-27-133(253-17-9-124(198)232-187(253)283)332-104(86)48-311-369(292,388)350-83-24-130(250-14-6-121(195)229-184(250)280)331-103(83)47-310-368(291,387)349-82-23-129(249-13-5-120(194)228-183(249)279)329-101(82)45-309-367(290,386)347-80-21-142(327-99(80)43-268)263-71-222-151-164(263)235-177(205)240-172(151)273/h4-19,40-42,63-75,79-118,127-146,268-269H,20-39,43-62H2,1-3H3,(H,289,385)(H,290,386)(H,291,387)(H,292,388)(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H2,193,227,278)(H2,194,228,279)(H2,195,229,280)(H2,196,230,281)(H2,197,231,282)(H2,198,232,283)(H2,199,233,284)(H2,200,234,285)(H2,201,210,214)(H2,202,211,215)(H2,203,212,216)(H2,204,213,217)(H,245,270,286)(H,246,271,287)(H,247,272,288)(H3,205,235,240,273)(H3,206,236,241,274)(H3,207,237,242,275)(H3,208,238,243,276)(H3,209,239,244,277)/p-19/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,366?,367?,368?,369?,370?,371?,372?,373?,374?,375?,376?,377?,378?,379?,380?,381?,382?,383?,384?/m0/s1

InChIKey

ZMJWRJKGPUDEOX-LMXUULCNSA-A

Smiles

O=[P@@](OC[C@H]1O[C@@H](n2cnc3c([nH]c(nc23)N)=O)C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(nc2=O)N)C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(ncnc23)N)C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@@H](n2cc(c([nH]c2=O)=O)C)C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(nc2=O)N)C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c([nH]c(nc23)N)=O)C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@@H](n2cc(c([nH]c2=O)=O)C)C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(nc2=O)N)C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(ncnc23)N)C[C@@H]1O)[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])([S-])O[C@H]1C[C@H](n2cnc3c([nH]c(nc23)N)=O)O[C@@H]1CO[P@@](=O)([S-])O[C@H]1C[C@H](n2cc(c([nH]c2=O)=O)C)O[C@@H]1CO[P@@](O[C@H]1C[C@H](n2ccc(nc2=O)N)O[C@@H]1CO[P@@](=O)([S-])O[C@H]1C[C@H](n2cnc3c([nH]c(nc23)N)=O)O[C@@H]1CO[P@@](O[C@H]1C[C@H](n2cnc3c(ncnc23)N)O[C@@H]1CO[P@@](O[C@H]1C[C@H](n2cnc3c(ncnc23)N)O[C@@H]1CO[P@@](=O)([S-])O[C@H]1C[C@H](n2ccc(nc2=O)N)O[C@@H]1CO[P@@](O[C@H]1C[C@H](n2ccc(nc2=O)N)O[C@@H]1CO[P@@](O[C@H]1C[C@H](n2ccc(nc2=O)N)O[C@@H]1CO[P@@](O[C@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc23)O[C@@H]1CO)(=O)[S-])(=O)[S-])(=O)[S-])(=O)[S-])(=O)[S-])(=O)[S-]