4-(6,7-Dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[(4-fluorophenyl)amino]sulfonyl]phenyl]-1-piperazinecarbothioamide CAS 1023310-86-2
| CAS No. | 1023310-86-2 |
| Molecular Formula | C29H28FN7O4S2 |
| Molecular Weight | 621.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(6,7-Dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[(4-fluorophenyl)amino]sulfonyl]phenyl]-1-piperazinecarbothioamide (CAS 1023310-86-2), molecular formula C29H28FN7O4S2 and molecular weight 621.71 g/mol, is a CATO reference standard with documented purity and traceability.
4-(6,7-Dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[(4-fluorophenyl)amino]sulfonyl]phenyl]-1-piperazinecarbothioamide (C29H28FN7O4S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-(6,7-Dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[[(4-fluorophenyl)amino]sulfonyl]phenyl]-1-piperazinecarbothioamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C29H28FN7O4S2 |
| Molecular Weight | 621.71 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 7 |
| Sulfur Atoms | 2 |
Related Dimethoxy Standards
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- 2,3-Dimethoxy-6,7-dimethylnaphthalene (CAS 4676-58-8)
- 4-(((R)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)-2-(4-(((R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)phenoxy)phenol (CAS 146763-55-5)
- 1,1'-[(1S)-6,6'-Dimethoxy[1,1'-biphenyl]-2,2'-diyl]bis[1,1-dicyclohexylphosphine] (CAS 246223-35-8)
- 2-(4-((2,6-Dimethoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)quinolin-8-yl)amino)pentyl)isoindoline-1,3-dione (CAS 106635-87-4)
- (6,6'-Dimethoxy-[1,1'-biphenyl]-2,3'-diyl)bis(diphenylphosphine) (CAS 133577-92-1)
- 2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile (CAS 939893-60-4)
- (R)-(6,6'-Dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(dicyclopentylphosphine) (CAS 150971-53-2)
Recommended Standards
- N-((1R,2S)-1-((R)-4,4-difluoropyrrolidin-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-((R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl)-5-(oxazol-2-yl)benzamide (CAS 1221263-99-5)
- Ir(ppz)3 , Tris(phenylpyrazole)IridiuM (CAS 562824-31-1)
- Z-Arg-Arg-AMC (I-1135.0050) (CAS 88937-61-5)
- Tris(2-(1H-pyrazol-1-yl)phenyl)iridium (CAS 359014-72-5)
- 3-Isocyanoanisole (CAS 20600-55-9)
- 1-(2-(1-Aminocyclobutyl)acetyl)-N-methylpyrrolidine-2-carboxamide (CAS 1590501-33-9)
- (R)-1-(2-Chloro-6-fluorophenyl)ethanamine (CAS 1100575-44-7)
- tert-Butyl propyl(3,4,5,6-tetrahydro-[2,3'-bipyridin]-2'-yl)carbamate (CAS 1352531-87-3)
- N,N-Bis(2,4-dimethoxybenzyl)-5,6,7,8-tetrahydro-1,7-naphthyridin-2-amine (CAS 2891456-70-3)
- [1-(4-Azepan-1-yl-3-fluorophenyl)ethyl]aminehydrochloride (CAS 1332528-56-9)
- Methyl 4-oxochromane-8-carboxylate (CAS 91344-89-7)
- 2,6-Dibromopyridine-3,4-diamine (CAS 1121583-59-2)
- 2-Amino-2-methylpentan-3-one (CAS 500168-09-2)
- Peptide Impurity 04 (CAS 2913424-91-4)
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