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Substance Name: Rosomidnar [USAN]
RN: 1443989-00-1
InChIKey: YLXBBCDOUAHKIB-UHFFFAOYSA-N

Note

  • In phase I clinical trials (2014); inhibits expression of BCL2 through DNA interference; PNT2258 is a liposomal preparation of PNT100.

Classification Code

  • Antineoplastic

Molecular Formula

  • C227-H291-N88-O141-P23

Molecular Weight

  • 7220.6729
 
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Names and Synonyms

Name of Substance

  • Rosomidnar [USAN]

Synonyms

  • 2'-deoxycytidylyl-(3'->5')-2'-deoxyadenylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxyguanylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxyadenylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxyguanylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxyguanylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxyadenylyl-(3'->5')-thymidylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxyguanylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxyguanylyl-(3'->5')-thymidylyl-(3'->5')-2'-deoxyguanosine
  • PNT100
  • Rosomidnar

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1443989-00-1

System Generated Number

  • 1443989001

Structure Descriptors

InChI

1S/C227H291N88O141P23/c1-91-53-305(226(339)290-199(91)318)168-43-107(447-457(341,342)387-56-118-93(317)29-154(411-118)310-85-259-181-193(310)278-207(244)284-201(181)320)131(424-168)69-402-479(385,386)456-116-52-177(315-90-264-186-198(315)283-212(249)289-206(186)325)433-140(116)78-409-467(361,362)443-101-37-162(299-23-10-148(235)272-220(299)333)416-123(101)61-393-461(349,350)437-97-33-158(295-19-6-144(231)268-216(295)329)414-121(97)59-391-463(353,354)439-99-35-160(297-21-8-146(233)270-218(297)331)420-127(99)65-397-474(375,376)452-112-48-173(311-86-260-182-194(311)279-208(245)285-202(182)321)429-136(112)74-405-466(359,360)442-100-36-161(298-22-9-147(234)271-219(298)332)415-122(100)60-392-460(347,348)436-96-32-157(294-18-5-143(230)267-215(294)328)412-119(96)57-389-459(345,346)435-95-31-156(293-17-4-142(229)266-214(293)327)413-120(95)58-390-462(351,352)438-98-34-159(296-20-7-145(232)269-217(296)330)417-124(98)62-394-471(369,370)448-108-44-169(306-54-92(2)200(319)291-227(306)340)425-132(108)70-401-478(383,384)451-111-47-172(309-84-258-180-189(243)252-81-255-192(180)309)428-135(111)73-404-465(357,358)441-103-39-164(301-25-12-150(237)274-222(301)335)422-129(103)67-399-476(379,380)454-114-50-175(313-88-262-184-196(313)281-210(247)287-204(184)323)432-139(114)77-408-470(367,368)446-106-42-167(304-28-15-153(240)277-225(304)338)423-130(106)68-400-477(381,382)455-115-51-176(314-89-263-185-197(314)282-211(248)288-205(185)324)431-138(115)76-407-469(365,366)445-105-41-166(303-27-14-152(239)276-224(303)337)419-126(105)64-396-473(373,374)450-110-46-171(308-83-257-179-188(242)251-80-254-191(179)308)427-134(110)72-403-464(355,356)440-102-38-163(300-24-11-149(236)273-221(300)334)421-128(102)66-398-475(377,378)453-113-49-174(312-87-261-183-195(312)280-209(246)286-203(183)322)430-137(113)75-406-468(363,364)444-104-40-165(302-26-13-151(238)275-223(302)336)418-125(104)63-395-472(371,372)449-109-45-170(307-82-256-178-187(241)250-79-253-190(178)307)426-133(109)71-388-458(343,344)434-94-30-155(410-117(94)55-316)292-16-3-141(228)265-213(292)326/h3-28,53-54,79-90,93-140,154-177,316-317H,29-52,55-78H2,1-2H3,(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,369,370)(H,371,372)(H,373,374)(H,375,376)(H,377,378)(H,379,380)(H,381,382)(H,383,384)(H,385,386)(H2,228,265,326)(H2,229,266,327)(H2,230,267,328)(H2,231,268,329)(H2,232,269,330)(H2,233,270,331)(H2,234,271,332)(H2,235,272,333)(H2,236,273,334)(H2,237,274,335)(H2,238,275,336)(H2,239,276,337)(H2,240,277,338)(H2,241,250,253)(H2,242,251,254)(H2,243,252,255)(H,290,318,339)(H,291,319,340)(H3,244,278,284,320)(H3,245,279,285,321)(H3,246,280,286,322)(H3,247,281,287,323)(H3,248,282,288,324)(H3,249,283,289,325)

InChIKey

YLXBBCDOUAHKIB-UHFFFAOYSA-N

Smiles

CC1=CN(C2CC(OP(=O)(O)OCC3OC(CC3O)n4cnc5C(=O)NC(=Nc45)N)C(COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC%10CC(OC%10COP(=O)(O)OC%11CC(OC%11COP(=O)(O)OC%12CC(OC%12COP(=O)(O)OC%13CC(OC%13COP(=O)(O)OC%14CC(OC%14COP(=O)(O)OC%15CC(OC%15COP(=O)(O)OC%16CC(OC%16COP(=O)(O)OC%17CC(OC%17COP(=O)(O)OC%18CC(OC%18COP(=O)(O)OC%19CC(OC%19COP(=O)(O)OC%20CC(OC%20COP(=O)(O)OC%21CC(OC%21COP(=O)(O)OC%22CC(OC%22COP(=O)(O)OC%23CC(OC%23COP(=O)(O)OC%24CC(OC%24COP(=O)(O)OC%25CC(OC%25COP(=O)(O)OC%26CC(OC%26COP(=O)(O)OC%27CC(OC%27CO)N%28C=CC(=NC%28=O)N)n%29cnc%30c%29ncnc%30N)N%31C=CC(=NC%31=O)N)n%32cnc%33C(=O)NC(=Nc%32%33)N)N%34C=CC(=NC%34=O)N)n%35cnc%36c%35ncnc%36N)N%37C=CC(=NC%37=O)N)n%38cnc%39C(=O)NC(=Nc%38%39)N)N%40C=CC(=NC%40=O)N)n%41cnc%42C(=O)NC(=Nc%41%42)N)N%43C=CC(=NC%43=O)N)n%44cnc%45c%44ncnc%45N)N%46C=C(C)C(=O)NC%46=O)N%47C=CC(=NC%47=O)N)N%48C=CC(=NC%48=O)N)N%49C=CC(=NC%49=O)N)N%50C=CC(=NC%50=O)N)n%51cnc%52C(=O)NC(=Nc%51%52)N)N%53C=CC(=NC%53=O)N)N%54C=CC(=NC%54=O)N)N%55C=CC(=NC%55=O)N)n%56cnc%57C(=O)NC(=Nc%56%57)N)O2)C(=O)NC1=O