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아포비르센나트륨

Afovirsen Sodium

HCID 71587499
새 노트새 반응견적 요청하기인쇄 미리보기
기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
138330-98-0
표준 SMILES
Cc1cn([C@H]2C[C@H](OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP([O-])(=S)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O)[C@@H](CO)O2)c(=O)[nH]c1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKey
ZWXNIBJNMPZZKZ-JILWZBBZSA-A
분자식
C192H231N57Na19O107P19S19
평균 분자량
6,684 g/mol
단동위원소 질량
6,679.2151115

개요

a phosphorothioate oligodeoxynucleotide; 20 nucleotides in length; base sequence given in first source

이름 및 식별자

우선 이름
Afovirsen Sodium
IUPAC
nonadecasodium;1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
현지명
아포비르센나트륨
영어명
afovirsen sodium
분자식
C192H231N57Na19O107P19S19
분자량
6683.748329

이름 및 동의어

Afovirsen sodium138330-98-07EL4K2K27PISIS-2105DTXSID50160582IP-2105I-2105Thymidine, 2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thioguanylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-2'-deoxy-P-thiocytidyRefChem:110048DTXCID7083073ISIS 2105Afovirsen sodium [USAN]
이름 더 보기
아포비르센나트륨
UNII-7EL4K2K27PIP 2105I 2105

데이터베이스 식별자

CAS
138330-98-0
PubChem CID
71587499
DTXSID
DTXSID50160582
ChEMBL
CHEMBL2108152

물성

구조 계산 물성

극성 표면적
2,780 Ų
수소 결합 공여자 수
24
수소 결합 수용자 수
134
회전 가능 결합 수
116
무거운 원자 수
413
형식 전하
0
복잡도
18,700

화학 및 산업

응용 분야

용도Antiviral.

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