(S)-2-Amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(3H)-one - CAS 17094-01-8
Catalog: |
BB012685 |
Product Name: |
(S)-2-Amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(3H)-one |
CAS: |
17094-01-8 |
Synonyms: |
2-amino-6-[(2S)-2-hydroxy-1-oxopropyl]-7,8-dihydro-3H-pteridin-4-one; 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one |
IUPAC Name: | 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one |
Description: | (S)-2-Amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(3H)-one (CAS# 17094-01-8) is commonly used in the study for treamtment of Type I Diabetes. |
Molecular Weight: | 237.22 |
Molecular Formula: | C9H11N5O3 |
Canonical SMILES: | CC(C(=O)C1=NC2=C(NC1)N=C(NC2=O)N)O |
InChI: | InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1 |
InChI Key: | VPVOXUSPXFPWBN-VKHMYHEASA-N |
Boiling Point: | 448.1 °C at 760 mmHg |
Density: | 1.86 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD00210214 |
LogP: | -1.04520 |
Publication Number | Title | Priority Date |
CN-113512594-A | Detection of Italian bee body color differentiation related gene and application thereof | 20210601 |
WO-2021210586-A1 | Condensed heterocyclic compound | 20200414 |
WO-2021168206-A1 | L-sepiapterin and methods of use for treating diseases and disorders | 20200219 |
WO-2021150983-A1 | Methods for treating parkinson's disease with sepiapterin | 20200124 |
WO-2021062264-A1 | Methods for treating hyperphenylalaninemia | 20190925 |
PMID | Publication Date | Title | Journal |
26087165 | 20150617 | Reduction of Neuropathic and Inflammatory Pain through Inhibition of the Tetrahydrobiopterin Pathway | Neuron |
24964743 | 20140801 | Statin-induced inhibition of breast cancer proliferation and invasion involves attenuation of iron transport: intermediacy of nitric oxide and antioxidant defence mechanisms | The FEBS journal |
23065260 | 20121201 | Cloning, expression and enzymatic properties analysis of dihydrofolate reductase gene from the silkworm, Bombyx mori | Molecular biology reports |
22648973 | 20120901 | Tetrahydrobiopterin protects soluble guanylate cyclase against oxidative inactivation | Molecular pharmacology |
22467312 | 20120601 | Endothelium-specific sepiapterin reductase deficiency in DOCA-salt hypertension | American journal of physiology. Heart and circulatory physiology |
Complexity: | 491 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.08618923 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.08618923 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 129 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2 |
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