기본 정보
- CAS
141781-17-1- 표준 SMILES
Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O- InChIKey
YMSLYTIPSGCZRM-DSPLJNTKSA-N- 분자식
- C24H43N3O8SSi2
- 평균 분자량
- 589.9 g/mol
- 단동위원소 질량
- 589.23093958
개요
See also: Kidney Formula 2107 (FDA NDC: 63083-2107) (component of).
이름 및 식별자
- 우선 이름
- Tsao-T
- IUPAC
- 1-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
- 영어명
- (2',5'-bis-O-(tert-butyldimethylsilyl)-beta-ribofuranosyl)-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)thymine
- 분자식
- C24H43N3O8SSi2
- 분자량
- 589.85
이름 및 동의어
Tsao-T141781-17-1WF66Y930KH(2',5'-Bis-O-(tert-butyldimethylsilyl)-beta-ribofuranosyl)-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)thymineRefChem:1923861-((5R,6R,8R,9R)-4-amino-9-(((1,1-dimethylethyl)dimethylsilyl)oxy)-6-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro(4.4)non-3-en-8-yl)-5-methyl-2,4(1H,3H)-pyrimidinedioneUNII-WF66Y930KH3qo9CHEMBL364136CHEMBL1738875SCHEMBL29678148BDBM50169035
이름 더 보기
TSAO1-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2$l^{6}-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-[(5R,6R,8R,9R)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-
1-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-(4-amino-9-(((1,1-dimethylethyl)dimethylsilyl)oxy)-6-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)-1,7-dioxa-2-thiaspiro(4,4)non-3-en-8-yl)-5-methyl-, S,S-dioxide. (5R-(5alpha,6beta,8beta,9alpha))-Q27292602[1-[2',5'-Bis-O-(tert-butyldimethylsilyl)-.beta.-D-ribofuranosyl]thymine]-(R)(ribo)-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)[2'',5''-bis-O-(tert-butyldimethylsilyl)-b-D-ribofuranosyl]-3''-spiro-5''''-(4''''-amino-1'''',2''''-oxathiole-2'''',2''''-dioxide)thymine[2'',5''-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3''-spiro-5''''-(4''''-amino-1'', 2''-oxathiole-2'',2''-dioxide)thymine1-[(1R,3R,4R,5R)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-pyrimidine-2,4-dione1-[(5R,6R,8R,9R)-4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
물성
구조 계산 물성
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,160
물리화학적 성질
- 밀도
- 1.229 · 1.229±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 9.542 · 9.542±0.10(predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template.
Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS.
공급사2 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
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