Basic information
- CAS
1022-31-7- Standard SMILES
NC(CC(=O)c1ccccc1NC=O)C(=O)O- InChIKey
BYHJHXPTQMMKCA-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970687
Overview
N-formylkynurenine is a non-proteinogenic amino acid derivative and a non-proteinogenic alpha-amino acid. It is functionally related to a kynurenine.
Names & identifiers
- Preferred name
- N-Formylkynurenine
- IUPAC
- 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
- English name
- N-formylkynurenine
- Molecular formula
- C11H12N2O4
- Molecular weight
- 236.22
Names & synonyms
N-formylkynurenine1022-31-7N'-formylkynurenine2-amino-4-(2-formamidophenyl)-4-oxobutanoic acidN3FFD7AJC9CHEBI:18377DTXSID108625152-azaniumyl-4-(2-formamidophenyl)-4-oxobutanoateRefChem:927166DTXCID10811265FormylkynurenineBenzenebutanoic acid, alpha-amino-2-(formylamino)-gamma-oxo-
Show more names
N-Formyl-L-kynurenineFormylkyneurininePinacolborane Impurity 37N-Formylkynurenine (Standard)3-[2-(Formylamino)benzoyl]-L-alanineα-Amino-2-(formylamino)-γ-oxobenzenebutanoic acid2-Amino-4-oxo-4-(2-formylaminophenyl)butanoic acidBenzenebutanoic acid, α-amino-2-(formylamino)-γ-oxo-
n-formyl kynurenine3-(n-formylanthraniloyl)-alanine2-AMINO-4-(2-FORMAMIDOPHENYL)-4-OXO-BUTANOIC ACIDNSC-334199N'-formyl-KynurenineN-formyl-delta-kynurenineUNII-N3FFD7AJC9Tryptophan Impurity 16
Database identifiers
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 169 · 169-170 °C
- Boiling point
- 563.4 · 563.4±50.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Aqueous Base (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated, Sonicated)
- pka
- 2.17 · 2.17±0.23(Predicted)
- form
- Solid
- color
- Off-White to Dark Beige
- Stability
- Hygroscopic
- FDA UNII
- 3 FFD7AJC9 · N3FFD7AJC9
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism
Applications
UsesN''-Formylkynurenine is a photooxidation product of Tryptophan (T947200), and is also used as a photosensitizer of near-ultraviolet radiation by generating singlet oxygen and superoxide.
Suppliers36 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
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Compound notes
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