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Trecovirsen

CAT: 0804-HY-149906-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149906-01Size:1 mg
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Description
Trecovirsen (GEM91) is a 25-mer antisense phosphorothioate oligonucleotide targeted at the gag site of the HIV gene.
CAS Number
153021-75-1
Product Name Alternative
GEM91
UNSPSC
12352208
Target
HIV
Type
Oligonucleotides
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/trecovirsen.html
Purity
97.98
Solubility
H2O : 200 mg/mL (ultrasonic)
Smiles
[Trecovirsen]
Molecular Weight
7776.30
References & Citations
[1]Séréni D, Tubiana R, Lascoux C, et al. Pharmacokinetics and tolerability of intravenous trecovirsen (GEM 91), an antisense phosphorothioate oligonucleotide, in HIV-positive subjects. J Clin Pharmacol. 1999;39 (1) :47-54. |[2]Pedziwiatr-Werbicka E, Fuentes E, Dzmitruk V, et al. Novel 'Si-C' carbosilane dendrimers as carriers for anti-HIV nucleic acids: studies on complexation and interaction with blood cells. Colloids Surf B Biointerfaces. 2013;109:183-189.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

DNA,d(P-thio)(C-T-C-T-C-G-C-A-C-C-C-A-T-C-T-C-T-C-T-C-C-T-T-C-T)
CAS Number153021-75-1
PubChem CID16130439
IUPAC Name1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC237H310N72O131P24S24
Molecular Weight7776
XLogP-8.5
Topological Polar Surface Area3400
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count165
Rotatable Bond Count146
Heavy Atom Count488
Formal Charge0
Complexity23800
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)O
InChI
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
Chemical Structure
2D Structure
2D structure of DNA,d(P-thio)(C-T-C-T-C-G-C-A-C-C-C-A-T-C-T-C-T-C-T-C-C-T-T-C-T)
CAS: 153021-75-1
CID: 16130439
Formula: C237H310N72O131P24S24
MW: 7776
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight7776
XLogP3-8.5
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count165
Rotatable Bond Count146
Exact Mass7774.6834049
Monoisotopic Mass7770.6808994
Topological Polar Surface Area3400 Ų
Heavy Atom Count488
Formal Charge0
Complexity23800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count75
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1917-10Trecovirsen

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