trans-4-Fluoro-L-proline - CAS 2507-61-1
Catalog: |
BB018727 |
Product Name: |
trans-4-Fluoro-L-proline |
CAS: |
2507-61-1 |
Synonyms: |
trans-4-Fluoro-L-Pro-OH; L-Proline, 4-fluoro-, (4R)-; (4R)-4-Fluoro-L-proline; L-Proline, 4-fluoro-, trans-; Proline, 4-fluoro-, L-trans-; (2S,4R)-4-Fluoro-pyrrolidine-2-carboxylic acid; trans-4-Fluoropyrrolidine-2-carboxylic Acid; L-trans-4-Fluoroproline; trans-4-Fluoroproline |
IUPAC Name: | (2S,4R)-4-fluoropyrrolidine-2-carboxylic acid |
Description: | trans-4-Fluoro-L-proline, a derivative of proline, functions as a pivotal component in the intricate process of drug development within the realms of pharmacology and chemical research. Employed predominantly for the innovation and formulation of therapeutic agents targeting an extensive array of pathological conditions such as oncological malignancies and neurodegenerative dysfunctions. |
Molecular Weight: | 133.12 |
Molecular Formula: | C5H8FNO2 |
Canonical SMILES: | C1C(CNC1C(=O)O)F |
InChI: | InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 |
InChI Key: | ZIWHMENIDGOELV-DMTCNVIQSA-N |
Boiling Point: | 265.1±40.0°C at 760 mmHg |
Melting Point: | 264°C |
Purity: | ≥95% |
Density: | 1.30±0.1 g/cm3 |
Appearance: | White to Light Yellow Powder to Crystal |
Storage: | Store at RT |
LogP: | 0.09980 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149881-A | Chiral derivatization reagent and preparation method and application thereof | 20210304 |
WO-2021076703-A1 | Compounds and methods for modulating immune-related proteins | 20191016 |
WO-2021076755-A1 | An activity-guide map of electrophile-cysteine interactions in primary human immune cells | 20191016 |
WO-2021072167-A1 | Compositions and methods for in vivo synthesis of unnatural polypeptides | 20191010 |
WO-2021067628-A2 | Conformation-specific antibodies that bind nuclear factor kappa-light-chain-enhancer of activated b cells | 20191001 |
PMID | Publication Date | Title | Journal |
22904932 | 20120801 | (2S,4R)-4-Fluoro-pyrrolidinium-2-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
21665470 | 20110715 | Inhibition of a prolyl hydroxylase domain (PHD) by substrate analog peptides | Bioorganic & medicinal chemistry letters |
21103487 | 20110101 | Enhancing the thermal stability of a single-chain Fv fragment by in vivo global fluorination of the proline residues | Molecular bioSystems |
21625626 | 20110101 | Rational design of protein stability: effect of (2S,4R)-4-fluoroproline on the stability and folding pathway of ubiquitin | PloS one |
20405858 | 20100518 | Thermodynamic consequences of incorporating 4-substituted proline derivatives into a small helical protein | Biochemistry |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.05390666 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.3 |
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