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Renadirsen

CAT: 0013-GTR19277229-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277229-02Size:50 mg
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Description
Renadirsen is an antisense oligonucleotide designed to induce exon 45 skipping of the dystrophin protein in vivo.
CAS Number
1782108-31-9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Renapersen
CAS Number1782108-31-9
PubChem CID131801099
IUPAC Name1-[(1R,5R,7R,8S)-8-[[(2R,3R,4R,5R)-3-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-3-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy(2-hydroxyethoxy)phosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-5-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC208H275N63O110P18S18
Molecular Weight6553
XLogP-14.2
Topological Polar Surface Area2750
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count146
Rotatable Bond Count117
Heavy Atom Count417
Formal Charge0
Complexity19400
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CCO3)COP(=S)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4OC)N5C=NC6=C(N=CN=C65)N)COP(=S)(O)O[C@@H]7[C@H](O[C@H]([C@@H]7OC)N8C=NC9=C(N=CN=C98)N)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)COP(=S)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N1C=CC(=NC1=O)N)COP(=S)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)COP(=O)(O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)CO)N1C=C(C(=NC1=O)N)C)S)N1C=C(C(=NC1=O)N)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)N)C)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=S)(O)OC[C@]12CCO[C@H]([C@@H]1OP(=S)(O)OC[C@]13CCO[C@H]([C@@H]1OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC4=C(N=CN=C41)N)OC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)NC1=O)OC)OP(=S)(O)OC[C@]14CCO[C@H]([C@@H]1OP(=S)(O)OC[C@]15CCO[C@H]([C@@H]1OP(=S)(O)OCCO)[C@@H](O5)N1C=C(C(=NC1=O)N)C)[C@@H](O4)N1C=C(C(=NC1=O)N)C)[C@@H](O3)N1C=C(C(=NC1=O)N)C)[C@@H](O2)N1C=C(C(=NC1=O)N)C
InChI
InChI=1S/C208H275N63O110P18S18/c1-82-45-256(189(282)238-144(82)210)174-124-134(199(63-273,354-174)21-34-318-124)372-386(296,404)332-61-98-114(122(316-17)172(352-98)270-80-234-106-159(270)247-185(222)250-164(106)278)370-394(304,412)340-67-204-26-39-327-133(181(358-204)263-52-89(8)151(217)245-196(263)289)143(204)381-399(309,417)345-72-208-30-43-323-129(183(363-208)265-54-91(10)162(276)253-198(265)291)139(208)377-389(299,407)335-60-97-112(121(315-16)171(351-97)269-79-233-105-158(269)246-184(221)249-163(105)277)366-384(294,402)329-55-92-108(116(310-11)166(346-92)254-31-19-100(209)236-187(254)280)367-391(301,409)338-65-201-23-36-325-131(179(355-201)261-50-87(6)149(215)243-194(261)287)141(201)379-397(307,415)343-70-206-28-41-321-127(177(360-206)259-48-85(4)147(213)241-192(259)285)137(206)375-388(298,406)334-59-96-111(119(313-14)169(350-96)267-77-231-103-153(219)225-74-228-156(103)267)365-385(295,403)331-57-94-113(120(314-15)170(348-94)268-78-232-104-154(220)226-75-229-157(104)268)369-393(303,411)337-64-200-22-35-322-128(182(362-200)264-53-90(9)161(275)252-197(264)290)138(200)376-390(300,408)336-62-99-115(123(317-18)173(353-99)271-81-235-107-160(271)248-186(223)251-165(107)279)371-395(305,413)341-68-203-25-38-326-132(180(357-203)262-51-88(7)150(216)244-195(262)288)142(203)380-398(308,416)344-71-207-29-42-320-126(176(361-207)258-47-84(3)146(212)240-191(258)284)136(207)374-387(297,405)333-58-95-110(118(312-13)168(349-95)266-76-230-102-152(218)224-73-227-155(102)266)364-383(293,401)330-56-93-109(117(311-12)167(347-93)255-32-20-101(274)237-188(255)281)368-392(302,410)339-66-202-24-37-324-130(178(356-202)260-49-86(5)148(214)242-193(260)286)140(202)378-396(306,414)342-69-205-27-40-319-125(135(205)373-382(292,400)328-44-33-272)175(359-205)257-46-83(2)145(211)239-190(257)283/h19-20,31-32,45-54,73-81,92-99,108-143,166-183,272-273H,21-30,33-44,55-72H2,1-18H3,(H,292,400)(H,293,401)(H,294,402)(H,295,403)(H,296,404)(H,297,405)(H,298,406)(H,299,407)(H,300,408)(H,301,409)(H,302,410)(H,303,411)(H,304,412)(H,305,413)(H,306,414)(H,307,415)(H,308,416)(H,309,417)(H2,209,236,280)(H2,210,238,282)(H2,211,239,283)(H2,212,240,284)(H2,213,241,285)(H2,214,242,286)(H2,215,243,287)(H2,216,244,288)(H2,217,245,289)(H2,218,224,227)(H2,219,225,228)(H2,220,226,229)(H,237,274,281)(H,252,275,290)(H,253,276,291)(H3,221,246,249,277)(H3,222,247,250,278)(H3,223,248,251,279)/t92-,93-,94-,95-,96-,97-,98-,99-,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+,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,382?,383?,384?,385?,386?,387?,388?,389?,390?,391?,392?,393?,394?,395?,396?,397?,398?,399?/m1/s1
InChIKey
DYDGGTWPZKPVKH-XYDAUQFKSA-N
Chemical Structure
2D Structure
2D structure of Renapersen
CAS: 1782108-31-9
CID: 131801099
Formula: C208H275N63O110P18S18
MW: 6553
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight6553
XLogP3-14.2
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count146
Rotatable Bond Count117
Exact Mass6549.8178609
Monoisotopic Mass6547.8111512
Topological Polar Surface Area2750 Ų
Heavy Atom Count417
Formal Charge0
Complexity19400
Isotope Atom Count0
Defined Atom Stereocenter Count72
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-177658Renadirsen
HY-177658ARenadirsen (sodium)

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