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Substance Name: AS 1411
RN: 301636-59-9
UNII: Z03K553649
InChIKey: DFYPFJSPLUVPFJ-QJEDTDQSSA-N

Note

  • An antineoplastic agent that inhibits nuclear factor-kappaB activation.

Molecular Formula

  • Unspecified

Molecular Weight

  • 8272.3118
 
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Names and Synonyms

Results Name

  • AS 1411

Name of Substance

  • AS-1411

Synonyms

  • AGRO 100
  • AGRO-100
  • AS1411
  • UNII-Z03K553649

Systematic Name

  • DNA, d(G-G-T-G-G-T-G-G-T-G-G-T-T-G-T-G-G-T-G-G-T-G-G-T-G-G)

Registry Numbers

CAS Registry Number

  • 301636-59-9

FDA UNII

  • Z03K553649

System Generated Number

  • 0301636599

Structure Descriptors

InChI

1S/C260H322N103O163P25/c1-88-36-338(252(392)329-209(88)366)150-12-99(126(479-150)48-455-540(427,428)515-111-24-163(352-76-283-180-197(352)300-240(266)317-223(180)380)496-143(111)65-470-546(439,440)521-118-31-170(359-83-290-187-204(359)307-247(273)324-230(187)387)492-139(118)61-466-534(415,416)508-104-17-155(343-41-93(6)214(371)334-257(343)397)483-130(104)52-459-544(435,436)519-115-28-167(356-80-287-184-201(356)304-244(270)321-227(184)384)500-147(115)69-474-550(447,448)525-121-34-173(362-86-293-190-207(362)310-250(276)327-233(190)390)494-141(121)63-468-536(419,420)510-106-19-157(345-43-95(8)216(373)336-259(345)399)484-131(106)53-458-542(431,432)517-113-26-165(354-78-285-182-199(354)302-242(268)319-225(182)382)498-145(113)67-472-548(443,444)522-117-30-169(358-82-289-186-203(358)306-246(272)323-229(186)386)490-137(117)59-464-532(411,412)506-102-15-153(341-39-91(4)212(369)332-255(341)395)480-127(102)49-454-538(423,424)513-109-22-161(350-74-281-178-195(350)298-238(264)315-221(178)378)487-134(109)56-452-528(403,404)502-98-11-159(476-123(98)45-364)348-72-279-176-193(348)296-236(262)313-219(176)376)503-529(405,406)453-47-125-100(13-151(478-125)339-37-89(2)210(367)330-253(339)393)504-531(409,410)463-58-136-110(23-162(489-136)351-75-282-179-196(351)299-239(265)316-222(179)379)514-539(425,426)456-51-129-103(16-154(482-129)342-40-92(5)213(370)333-256(342)396)507-533(413,414)465-60-138-119(32-171(491-138)360-84-291-188-205(360)308-248(274)325-231(188)388)523-549(445,446)473-68-146-114(27-166(499-146)355-79-286-183-200(355)303-243(269)320-226(183)383)518-543(433,434)460-55-133-107(20-158(486-133)346-44-96(9)217(374)337-260(346)400)511-537(421,422)469-64-142-122(35-174(495-142)363-87-294-191-208(363)311-251(277)328-234(191)391)526-551(449,450)475-70-148-116(29-168(501-148)357-81-288-185-202(357)305-245(271)322-228(185)385)520-545(437,438)461-54-132-105(18-156(485-132)344-42-94(7)215(372)335-258(344)398)509-535(417,418)467-62-140-120(33-172(493-140)361-85-292-189-206(361)309-249(275)326-232(189)389)524-547(441,442)471-66-144-112(25-164(497-144)353-77-284-181-198(353)301-241(267)318-224(181)381)516-541(429,430)457-50-128-101(14-152(481-128)340-38-90(3)211(368)331-254(340)394)505-530(407,408)462-57-135-108(21-160(488-135)349-73-280-177-194(349)297-237(263)314-220(177)377)512-527(401,402)451-46-124-97(365)10-149(477-124)347-71-278-175-192(347)295-235(261)312-218(175)375/h36-44,71-87,97-174,364-365H,10-35,45-70H2,1-9H3,(H,401,402)(H,403,404)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H,413,414)(H,415,416)(H,417,418)(H,419,420)(H,421,422)(H,423,424)(H,425,426)(H,427,428)(H,429,430)(H,431,432)(H,433,434)(H,435,436)(H,437,438)(H,439,440)(H,441,442)(H,443,444)(H,445,446)(H,447,448)(H,449,450)(H,329,366,392)(H,330,367,393)(H,331,368,394)(H,332,369,395)(H,333,370,396)(H,334,371,397)(H,335,372,398)(H,336,373,399)(H,337,374,400)(H3,261,295,312,375)(H3,262,296,313,376)(H3,263,297,314,377)(H3,264,298,315,378)(H3,265,299,316,379)(H3,266,300,317,380)(H3,267,301,318,381)(H3,268,302,319,382)(H3,269,303,320,383)(H3,270,304,321,384)(H3,271,305,322,385)(H3,272,306,323,386)(H3,273,307,324,387)(H3,274,308,325,388)(H3,275,309,326,389)(H3,276,310,327,390)(H3,277,311,328,391)/t97-,98?,99-,100-,101-,102-,103-,104-,105-,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+,153+,154+,155+,156+,157+,158+,159?,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+/m0/s1

InChIKey

DFYPFJSPLUVPFJ-QJEDTDQSSA-N

Smiles

CC1=CN([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3OP(=O)(O)OC[C@H]4O[C@H](C[C@@H]4OP(=O)(O)OC[C@H]5O[C@H](C[C@@H]5OP(=O)(O)OC[C@H]6O[C@H](C[C@@H]6OP(=O)(O)OC[C@H]7O[C@H](C[C@@H]7OP(=O)(O)OC[C@H]8O[C@H](C[C@@H]8OP(=O)(O)OC[C@H]9O[C@H](C[C@@H]9OP(=O)(O)OC[C@H]%10O[C@H](C[C@@H]%10OP(=O)(O)OC[C@H]%11O[C@H](C[C@@H]%11OP(=O)(O)OC[C@H]%12O[C@H](C[C@@H]%12OP(=O)(O)OC[C@H]%13O[C@H](C[C@@H]%13OP(=O)(O)OC[C@H]%14O[C@H](C[C@@H]%14OP(=O)(O)OC[C@H]%15O[C@H](C[C@@H]%15OP(=O)(O)OC[C@H]%16O[C@H](C[C@@H]%16O)n%17cnc%18C(=O)NC(=Nc%17%18)N)n%19cnc%20C(=O)NC(=Nc%19%20)N)N%21C=C(C)C(=O)NC%21=O)n%22cnc%23C(=O)NC(=Nc%22%23)N)n%24cnc%25C(=O)NC(=Nc%24%25)N)N%26C=C(C)C(=O)NC%26=O)n%27cnc%28C(=O)NC(=Nc%27%28)N)n%29cnc%30C(=O)NC(=Nc%29%30)N)N%31C=C(C)C(=O)NC%31=O)n%32cnc%33C(=O)NC(=Nc%32%33)N)n%34cnc%35C(=O)NC(=Nc%34%35)N)N%36C=C(C)C(=O)NC%36=O)n%37cnc%38C(=O)NC(=Nc%37%38)N)N%39C=C(C)C(=O)NC%39=O)[C@@H](COP(=O)(O)O[C@H]%40C[C@@H](O[C@@H]%40COP(=O)(O)O[C@H]%41C[C@@H](O[C@@H]%41COP(=O)(O)O[C@H]%42C[C@@H](O[C@@H]%42COP(=O)(O)O[C@H]%43C[C@@H](O[C@@H]%43COP(=O)(O)O[C@H]%44C[C@@H](O[C@@H]%44COP(=O)(O)O[C@H]%45C[C@@H](O[C@@H]%45COP(=O)(O)O[C@H]%46C[C@@H](O[C@@H]%46COP(=O)(O)O[C@H]%47C[C@@H](O[C@@H]%47COP(=O)(O)O[C@H]%48C[C@@H](O[C@@H]%48COP(=O)(O)O[C@H]%49C[C@@H](O[C@@H]%49COP(=O)(O)OC%50CC(OC%50CO)n%51cnc%52C(=O)NC(=Nc%51%52)N)n%53cnc%54C(=O)NC(=Nc%53%54)N)N%55C=C(C)C(=O)NC%55=O)n%56cnc%57C(=O)NC(=Nc%56%57)N)n%58cnc%59C(=O)NC(=Nc%58%59)N)N%60C=C(C)C(=O)NC%60=O)n%61cnc%62C(=O)NC(=Nc%61%62)N)n%63cnc%64C(=O)NC(=Nc%63%64)N)N%65C=C(C)C(=O)NC%65=O)n%66cnc%67C(=O)NC(=Nc%66%67)N)n%68cnc%69C(=O)NC(=Nc%68%69)N)O2)C(=O)NC1=O