Sepiapterin

Details

• Internal ID: 6c455870-eb8b-4ce7-936e-ad81382666af
• Taxonomy: Organoheterocyclic compounds > Pteridines and derivatives > Pterins and derivatives
• IUPAC Name: 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one
• SMILES (Canonical): CC(C(=O)C1=NC2=C(NC1)N=C(NC2=O)N)O
• SMILES (Isomeric): C[C@@H](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
• Popularity: 262 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₁N₅O₃
• Molecular Weight: 237.22 g/mol
• Exact Mass: 237.08618923 g/mol
• Topological Polar Surface Area (TPSA): 129.00 Ų
• XlogP: -2.00

Synonyms

• L-Sepiapterin
• 17094-01-8
• Sepiapterine
• CNSA-001
• PTC923
• Sepiapterin [USAN]
• Lopac-S-154
• CJQ26KO7HP
• (S)-2-Amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(3H)-one
• PTC-923
• 2-Amino-6-(S)-lactoyl-7,8-dihydro-4(3H)-pteridinone
• 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one
• 4(3H)-pteridinone, 2-amino-7,8-dihydro-6-((2S)-2-hydroxy-1-oxopropyl)-
• UNII-CJQ26KO7HP
• 4(3H)-Pteridinone, 2-amino-7,8-dihydro-6-[(2S)-2-hydroxy-1-oxopropyl]-
• 4(3H)-Pteridinone,2-amino-7,8-dihydro-6-[(2S)-2-hydroxy-1-oxopropyl]-
• Sepiapterin, solid
• SEPIAPTERIN [INN]
• Lopac0_001123
• 6-lactoyl-7,8-dihydropterin
• MLS002153268
• SCHEMBL258399
• CHEMBL1255653
• DTXSID40937902
• CHEBI:194527
• VPVOXUSPXFPWBN-VKHMYHEASA-N
• HMS2234O10
• HMS3263B07
• Tox21_501123
• 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-1H-pteridin-4-one
• WHO 11848
• AKOS022181294
• CCG-205198
• LP01123
• SDCCGSBI-0051091.P002
• NCGC00015913-01
• NCGC00094391-01
• NCGC00094391-02
• NCGC00094391-03
• NCGC00094391-05
• NCGC00261808-01
• SMR001230707
• HY-112234
• CS-0044215
• EU-0101123
• S-154
• C00835
• SR-01000075522
• Q2271580
• SR-01000075522-1
• (S)-2-amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(1H)-one
• (S)-2-amino-7,8-dihydro-6-(2-hydroxy-1-oxopropyl)-4(1H)-Pteridinone
• 1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-2-hydroxy-1-Propanone
• 2-amino-6-[(2S)-2-hydroxypropanoyl]-1,4,7,8-tetrahydropteridin-4-one
• 2-amino-7,8-dihydro-6-[(2S)-2-hydroxy-1-oxopropyl]-4(1H)Pteridinone
• S(-)-2-Amino-7,8-dihydro-6-(2-hydroxy-1-oxopropyl)-4(1H)-pteridione
• 2-AMINO-7,8-DIHYDRO-6-((2S)-2-HYDROXY-1-OXOPROPYL)-4(3H)-PTERIDINONE
• 4(1H)-Pteridinone, 2-amino-7,8-dihydro-6-(2-hydroxy-1-oxopropyl)-, (S)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.69%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.94%	94.45%
CHEMBL4040	P28482	MAP kinase ERK2	94.94%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.91%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.03%	99.23%
CHEMBL2581	P07339	Cathepsin D	87.49%	98.95%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	87.02%	93.10%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	86.67%	85.30%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	86.09%	95.48%
CHEMBL1907598	P05106	Integrin alpha-V/beta-3	85.05%	95.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.87%	91.11%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.18%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 135398579
• LOTUS: LTS0047412
• wikiData: Q100606475