Sinefungin

Details

• Internal ID: b050c9ab-a4af-4f19-adc1-5b657e02239f
• Taxonomy: Nucleosides, nucleotides, and analogues > 5-deoxyribonucleosides
• IUPAC Name: (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
• InChI: InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
• InChI Key: LMXOHSDXUQEUSF-YECHIGJVSA-N
• Popularity: 574 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₃N₇O₅
• Molecular Weight: 381.39 g/mol
• Exact Mass: 381.17606686 g/mol
• Topological Polar Surface Area (TPSA): 209.00 Ų
• XlogP: -4.30

Synonyms

• 58944-73-3
• ADENOSYL-ORNITHINE
• Compound 57926
• Antibiotic A 9145
• Sinefungina
• Sinefungine
• Sinefunginum
• A 9145
• 6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxydecofuranuronic acid
• 6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-beta-D-ribo-decofuranuronic acid
• W2U467CIIL
• CHEBI:45453
• LILLY 57926
• (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
• Antibiotic 32232RP
• LY-57926
• (2S,5S)-2,5-diamino-6-((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)hexanoic acid
• (2S,5S)-2,5-diamino-6-[(2R,3S,R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid
• Antibiotic 32232 RP
• Sinefungin [USAN:INN]
• Sinefungine [INN-French]
• Sinefunginum [INN-Latin]
• Sinefungina [INN-Spanish]
• (5S)-5-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-L-norleucine
• SFG
• A-9145
• UNII-W2U467CIIL
• BRN 3574678
• LY 57926
• RP 32232
• 1aqj
• 1qaq
• Decofuranuronic acid, 6,9-diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-
• 2h2j
• SINEFUNGIN [MI]
• SINEFUNGIN [INN]
• Sinefungin (USAN/INN)
• SINEFUNGIN [USAN]
• SINEFUNGIN [MART.]
• SCHEMBL167609
• CHEMBL1214186
• DTXSID10207689
• LMXOHSDXUQEUSF-YECHIGJVSA-N
• BCP28648
• Sinefungin, 95% (HPLC), powder
• BDBM50378739
• AKOS027327588
• CCG-208696
• DB01910
• NCGC00263619-01
• NCGC00263619-03
• 6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-D-glycero-alpha-L-talo-decofuranuronic acid
• AS-77750
• BS162746
• D-glycero-alpha-L-talo-Decofuranuronic acid, 6,9-diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-
• Decofuranuronic acid, 6,9-diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-, (beta-D-ribo)-
• HY-101938
• CS-0022195
• D05846
• A869317
• (2S,5S)-5-(5'-Adenosyl)-2,5-diaminopentanoic acid
• BRD-K91100918-001-01-2
• Q27093021
• TCA-O-PCP?Trichloroacetic acid pentachlorophenyl ester
• (2S,5S)-2,5-Diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuryl]hexanoic Acid
• (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid (non-preferred name)
• 6,9-DIAMINO-1-(6-AMINO-9H-PURIN-9-YL)-1,5,6,7,8,9-HEXADEOXY-.BETA.-D-RIBO-DECOFURANURONIC ACID
• 6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-D-glycero-a-L-talo-decofuranuronic acid
• DECOFURANURONIC ACID, 6,9-DIAMINO-1-(6-AMINO-9H-PURIN-9-YL)-1,5,6,7,8,9-HEXADEOXY-, (.BETA.-D-RIBO)-

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.78%	96.09%
CHEMBL3137261	O14744	PRMT5/MEP50 complex	95.38%	100.00%
CHEMBL4523377	Q86WV6	Stimulator of interferon genes protein	90.88%	95.48%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.04%	99.17%
CHEMBL3589	P55263	Adenosine kinase	88.38%	98.05%
CHEMBL221	P23219	Cyclooxygenase-1	86.75%	90.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.54%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.45%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.39%	89.00%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	85.01%	80.33%
CHEMBL5524	Q99873	Protein-arginine N-methyltransferase 1	84.28%	96.67%
CHEMBL3401	O75469	Pregnane X receptor	83.85%	94.73%
CHEMBL2850	P49840	Glycogen synthase kinase-3 alpha	81.96%	88.84%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	81.65%	93.10%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.26%	91.11%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 65482
• LOTUS: LTS0173365
• wikiData: Q27093021