Grundinformationen
- CAS
487-90-1- Standard-SMILES
NCc1[nH]cc(CCC(=O)O)c1CC(=O)O- InChIKey
QSHWIQZFGQKFMA-UHFFFAOYSA-N- Summenformel
- C10H14N2O4
- Durchschnittliche Molmasse
- 226,23 g/mol
- Monoisotopische Masse
- 226,09535693
Überblick
Porphobilinogen is a dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively. It has a role as a metabolite, a mouse metabolite and an Escherichia coli metabolite. It is a member of pyrroles, a dicarboxylic acid and an aralkylamino compound. It is a conjugate acid of a porphobilinogen(1-).
Namen und Bezeichner
- Bevorzugter Name
- Porphobilinogen
- IUPAC
- 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
- Lokaler Name
- 5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-propionsure
- Englischer Name
- PORPHOBILINOGEN
- Summenformel
- C10H14N2O4
- Molmasse
- 226.23
Namen und Synonyme
porphobilinogen487-90-13-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID3-(5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl)propanoic acid1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propionic acid74KHC72QXKDTXSID4060070CHEBI:17381RefChem:175301DTXCID3040641207-666-3
Weitere Namen anzeigen
porphobilinogen (synth.)5-(Aminomethyl)-4-(carboxymethyl)pyrrole-3-propionic acid5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrole-3-propanoicaci5-[AMINOMETHYL]-4-[CARBOXYMETHYL]-1H-PYRROLE-3-PROPANOIC ACID3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propionic acid
5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propanoic acid2-aminomethylpyrrol-3-acetic acid 4-propionic acidPorphobilinogen, powderPBG5-(aminomethyl)-4-(carboxymethyl)-pyrrole-3-propionic acidCHEMBL1235151Aminolevulinic Acid Hydrochloride Impurity 175-(aminomethyl)-4-(carboxymethyl)-Pyrrole-3-propionate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3,5
- Polarare Oberfläche (TPSA)
- 116 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 270
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionSolid
Collision Cross Section148.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 174 · 174-177℃
- Siedepunkt
- 479 ℃ · 479℃
- Dichte
- 1.421 · 1.421
- Flammpunkt
- 243 ℃ · 243℃
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Aqueous Base (Slightly), Acetonitrile (Slightly), DMSO (Slightly)
- pka
- 4.22 · 4.22±0.10(Predicted)
- Aggregatzustand
- powder
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Health EffectsChronically high levels of porophyrins are associated with porphyrias such as Porphyria variegate, Acute Intermittent Porphyria and Hereditary Coproporphyria (HCP).
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Sicherheitsdaten
- F
- 8-10
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsErythrocyte
Cellular LocationsCytoplasm
Metabolite PathwaysAcute Intermittent Porphyria
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.
General Manufacturing Information1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-: INACTIVE
Anwendungen
VerwendenAn intermediate in the biosynthesis of Heme, found in the urine of patients with acute porphyria.
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广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
成都安斯利生物医药有限公司
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