Prexigebersen
기본 정보
- CAS
202484-91-1- 표준 SMILES
Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3O)C(COP(=O)(O)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3CO)O2)c(=O)[nH]c1=O- InChIKey
QAOIWVZTHIWLSW-UHFFFAOYSA-N- 분자식
- C177H224N63O110P17
- 평균 분자량
- 5,521 g/mol
- 단동위원소 질량
- 5,517.9410315
개요
Prexigebersen is a liposomal formulation containing the antisense oligodeoxynucleotide (ODN) growth factor receptor-bound protein 2 (Grb2), with potential antineoplastic activity. Upon administration, prexigebersen binds directly to and blocks Grb2 mRNA, thereby preventing Grb2 protein synthesis, leading to inhibition of cell proliferation of cancer cells overexpressing Grb2. Grb2, an adaptor protein involved in growth signaling pathways, is upregulated in certain tumor cells.
이름 및 식별자
- 우선 이름
- Prexigebersen
- IUPAC
- [3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- 영어명
- DNA, d(A-T-A-T-T-T-G-G-C-G-A-T-G-G-C-T-T-C)
- 분자량
- 0
이름 및 동의어
PrexigebersenPrexigebersen [INN]Prexigebersen [USAN:INN]UNII-8W1O4Y961B202484-91-18W1O4Y961BBP-100-1.01/L-Grb2DNA, d(A-T-A-T-T-T-G-G-C-G-A-T-G-G-C-T-T-C)SCHEMBL29423008DA-66866Prexigebersen(Synonyms:BP1001)
데이터베이스 식별자
- CAS
202484-91-1- PubChem CID
- 123132008
- ChEMBL
CHEMBL3989978
물성
구조 계산 물성
- XLogP
- -34.9
- 극성 표면적
- 2,310 Ų
- 수소 결합 공여자 수
- 42
- 수소 결합 수용자 수
- 132
- 회전 가능 결합 수
- 104
- 무거운 원자 수
- 367
- 형식 전하
- 0
- 복잡도
- 16,500
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