Saicar
Grundinformationen
- CAS
3031-95-6- Standard-SMILES
Nc1c(C(=O)N[C@@H](CC(=O)O)C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
NAQGHJTUZRHGAC-ZZZDFHIKSA-N- Summenformel
- C13H19N4O12P
- Durchschnittliche Molmasse
- 454,28 g/mol
- Monoisotopische Masse
- 454,07370868
Überblick
SAICAR is a 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid with the amino group of L-aspartic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a succinic acid. It is a conjugate acid of a SAICAR(4-).
Namen und Bezeichner
- Bevorzugter Name
- Saicar
- IUPAC
- (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid
- Englischer Name
- (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid
- Summenformel
- C13H19N4O12P
- Molmasse
- 454.28
Namen und Synonyme
SAICAR3031-95-6Succino-AICARK1PVR64RIFDTXSID901844045-Amino-4-imidazole-N-succinocarboxamide ribonucleotide5'-Phosphoribosyl-4-(N-succinylcarboxamide)-5-aminoimidazoleCHEBI:183191-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazoleN-((5-Amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-4-yl)carbonyl)-L-aspartic acidN-(5-Amino-1-beta-D-ribofuranosylimidazole-4-carbonyl)-L-aspartic acid 5'-phosphate1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole
Weitere Namen anzeigen
5-Aminoimidazole-4-N-succinocarboxamide ribonucleotide5'-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazoleN-Succinyl-5-aMinoiMidazole-4-carboxaMide Ribose 5'-PhosphateN-Succinyl-5-aminoimidazole-4-carboxamide Ribose 5’-PhosphateN-[[5-Amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl]-L-aspartic acidN-[[5-Amino-1-(5-O-phosphono-b-D-ribofuranosyl)-1H-imidazoL-4-yl]carbonyl]-L-aspartic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -4,3
- Polarare Oberfläche (TPSA)
- 264 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 718
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 189 °C · >189°C (dec.)
- Dichte
- 2.18 · 2.18±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Methanol (Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- pka
- 1.86 · 1.86±0.10(Predicted)
- Farbe
- White to Off-White
- Biologische Quelle
- synthetic
- Stabilität
- Hygroscopic
- Major Application
- metabolomics
- InChIKey
- NAQGHJTUZRHGAC-ZZZDFHIKSA-N
- SMILES
- NC1=C(N=CN1[C@H]2[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O2)C(N[C@@H](CC(O)=O)C(O)=O)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Toxikologische Informationen
Health EffectsChronically high levels of SAICAR are associated with Adenylosuccinate Lyase Deficiency.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsFibroblasts
Metabolite PathwaysAdenine phosphoribosyltransferase deficiency (APRT)
Verwendung und Herstellung
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Anwendungen
VerwendenN-Succinyl-5-aminoimidazole-4-carboxamide Ribose 5’-Phosphate is a metabolite of Purine. Since adenosine is a potent inhibitor of neuronal function, depressing the release of several excitatory transmitters and causing direct hyperpolarization of neurons, it was possible that the symptoms seen in adenylosuccinate lyase (ASase) deficient patients could reflect an interference of succinylpurines with neurotransmission.
Anbieter11 Anbieter
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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