Basic information
- CAS
19254-05-8- Standard SMILES
NC(=S)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2[O-])c1- InChIKey
NYRJSROCIMIKPS-NNYOXOHSSA-N- Molecular formula
- C21H28N7O16P3S
- Average molar mass
- 759.5 g/mol
- Monoisotopic mass
- 759.05261
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
- IUPAC
- (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
- English name
- Adenosine 5'-(trihydrogen diphosate), 2'-(sodium hydrogen phosphate), p',5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridium inner salt
- Molecular formula
- C21H28N7O16P3S
- Molecular weight
- 759.47
Names & synonyms
(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olateAdenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridinium inner saltADENOSINE 5/'-(TRIHYDROGEN DIPHOSATE), 2/'-(SODIUM HYDROGEN PHOSPHATE), P/',5/'-ESTER WITH 3-(AMINOTSCHEMBL28538512SCHEMBL29361913NYRJSROCIMIKPS-NNYOXOHSSA-NS-NADPThio-NADP+THIO-NADP SODIUMThionicotinamide TPNTHIONICOTINAMID-TPN SODIUM SALTTHIONICOTINAMIDE-TPN SODIUM SALT
Show more names
Triphosphothiopyridine nucleotide sodium saltThionicotinamide adenine dinucleotide phosphateTRIPHOSPHOTHIOPYRIDINE NUCLEOTIDE MONOSODIUM SALT
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 383 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,310
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: 50 mg/mL, clear, yellow
- WGK Germany
- 3 · 3
- F
- 3 · 3-10
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10
- wgk
- 3
Chemistry & industry
Applications
UsesThio-NADP (S-NADP) is a nicotinic acid adenine dinucleotide phosphate (NAADP) inhibitor. Thio-NADP activates partial Ca2+ release[1].
Suppliers4 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
邦泰生物工程（深圳）有限公司+86-0755-27212902 18025386762 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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