4-(2-Amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)butanoic acid CAS 76628-80-3
| CAS No. | 76628-80-3 |
| Molecular Formula | C16H15ClN4O3 |
| Molecular Weight | 346.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-(2-Amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)butanoic acid (C16H15ClN4O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 346.77 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-(2-Amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)butanoic acid (CAS 76628-80-3), molecular formula C16H15ClN4O3 and molecular weight 346.77 g/mol, is a CATO reference standard with documented purity and traceability.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 4-(2-Amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)butanoic acid 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 | C16H15ClN4O3 |
| Molecular Weight | 346.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related Amino Standards
- n-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-n-(2-methoxyethyl)propanamide (CAS 1050883-98-1)
- 3-Amino-4-(3-chlorophenyl)-1-(3,4-dimethoxybenzyl)azetidin-2-one (CAS 1291488-90-8)
- 3-Amino-4-(4-chlorophenyl)-1-(3,4-dimethoxybenzyl)azetidin-2-one (CAS 1291490-39-5)
- Methyl 4-amino-6-chloro-4'-morpholino-[1,1'-biphenyl]-3-carboxylate (CAS 1398332-25-6)
- n-(6-Amino-2,4-dioxo-1-propyl-1,2,3,4-tetrahydropyrimidin-5-yl)-4-chloro-N-(2-methoxyethyl)butanamide (CAS 743444-69-1)
- Ethyl 3-((2-amino-5-chlorophenyl)thio)-1H-indole-2-carboxylate (CAS 206256-23-7)
- N-(3-Amino-4-chlorophenyl)-2-[4-(tert-pentyl)-phenoxy]acetamide (CAS 1020054-53-8)
- N-(3-Amino-4-chlorophenyl)-2-[2-(sec-butyl)-phenoxy]propanamide (CAS 1020054-62-9)
Recommended Standards
- 4-((3-((3-Chlorophenyl)carbamoyl)phenyl)amino)-4-oxobutanoic acid (CAS 307340-35-8)
- N1-(Benzo[d][1,3]dioxol-5-ylmethyl)-N2-(3-chloro-4-methylphenyl)oxalamide (CAS 428823-80-7)
- 2-[4-(4-Chlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]-N-(pyridin-2-yl)acetamide (CAS 478033-72-6)
- 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine (CAS 1023515-07-2)
- 4-(Difluoromethyl)-2-methylbenzo[d]oxazole (CAS 1807047-38-6)
- 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde (CAS 1432754-61-4)
- (5-(2-Methoxy-5-nitrophenyl)furan-2-yl)methanol (CAS 678157-47-6)
- Oxalic acid hydrazideEthanedioic acid (CAS 996-98-5)
- (2,3-Dihydropyrano[4,3,2-de]quinolin-7-yl)boronic acid hydrochloride (CAS 1354190-18-3)
- Gefitinib Impurity 75 (CAS CATO-C4X-111775)
- 4-(4-(2-aminoethyl)-2,6-diiodophenoxy)-2,6-diiodophenol (CAS 3571-49-1)
- [(R)-(+)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl]palladium(II) chloride (CAS 191654-69-0)
- Methyl 4-(2-aminopyridin-3-yl)benzoate (CAS 1216772-15-4)
- Insulin Degludec Impurity 18 (CAS CATO-C4X-215718)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com