Tsao-T

HCID 65005

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 141781-17-1
Standard 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
Molecular formula: C24H43N3O8SSi2
Average molar mass: 589.9 g/mol
Monoisotopic mass: 589.23093958

Overview

See also: Kidney Formula 2107 (FDA NDC: 63083-2107) (component of).

Names & identifiers

Preferred name: 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
English name: (2',5'-bis-O-(tert-butyldimethylsilyl)-beta-ribofuranosyl)-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)thymine
Molecular formula: C24H43N3O8SSi2
Molecular weight: 589.85

Names & synonyms

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

Show more names

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

Database identifiers

CAS: 141781-17-1
PubChem CID: 65005
ChEMBL: CHEMBL1738875
UNII: WF66Y930KH
Nikkaji: J1.059.770F

Properties

Computed structural properties

Topological polar surface area: 155 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 38
Formal charge: 0
Complexity: 1,160

Physicochemical properties

Density: 1.229 · 1.229±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 9.542 · 9.542±0.10(predicted)
FDA UNII: 66 Y930KH · WF66Y930KH

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

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.

Suppliers2 total

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]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…