3-Amino-1-propanesulfonic acid - CAS 3687-18-1
Catalog: |
BB023119 |
Product Name: |
3-Amino-1-propanesulfonic acid |
CAS: |
3687-18-1 |
Synonyms: |
3-aminopropane-1-sulfonic acid |
Application: |
Anti-Alzheimer agents; Amyloid-β inhibitor |
IUPAC Name: | 3-aminopropane-1-sulfonic acid |
Description: | Tramiprosate, also nemed homotaurine, is an orally-administered, sulfated glycosaminoglycan mimic that targets amyloid β. γ-secretase: IC50 = 12 nM; Aβ40: IC50 = 7.4 nM; Aβ42: IC50 = 7.9 nM; gamma-secretase express: EC5050 = 7 nM (CHO cells); displacement of [3H]L685458 from human SPP express: IC50 = 28.7 µM (HEK293 cells). |
Molecular Weight: | 139.17 |
Molecular Formula: | C3H9NO3S |
Canonical SMILES: | C(CN)CS(=O)(=O)O |
InChI: | InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7) |
InChI Key: | SNKZJIOFVMKAOJ-UHFFFAOYSA-N |
Melting Point: | 270°C |
Purity: | 98% |
Density: | 1.387 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | Solid powder |
Storage: | Store in a cool and dry place and at 0 - 4 °C for short term (days to weeks) or -23 °C for long term (months to years). |
MDL: | MFCD00008225 |
LogP: | 1.00410 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22932902 | 20121102 | High selectivity of the γ-aminobutyric acid transporter 2 (GAT-2, SLC6A13) revealed by structure-based approach | The Journal of biological chemistry |
22877150 | 20120905 | Variable-temperature 17O NMR studies allow quantitative evaluation of molecular dynamics in organic solids | Journal of the American Chemical Society |
22346357 | 20120101 | Acamprosate for treatment of alcohol dependence: mechanisms, efficacy, and clinical utility | Therapeutics and clinical risk management |
22403554 | 20120101 | Metal chaperones: a holistic approach to the treatment of Alzheimer's disease | Frontiers in psychiatry |
22506132 | 20120101 | Alzheimer's disease and the amyloid cascade hypothesis: a critical review | International journal of Alzheimer's disease |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.03031432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 88.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3.8 |
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