N-(2-Furoyl)Glycine

HCID 21863CAS 5657-19-2
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Grundinformationen

Standard-SMILES
O=C(O)CNC(=O)c1ccco1
InChIKey
KSPQDMRTZZYQLM-UHFFFAOYSA-N
Summenformel
C7H7NO4
Durchschnittliche Molmasse
169,13 g/mol
Monoisotopische Masse
169,0375077

Überblick

N-(2-furoyl)glycine is a glycine derivative that is the carboxamide obtained by the formal condensation of the amino group of glycine with 2-furoic acid. It has a role as a human metabolite. It is a N-acylglycine and a member of furans. It is functionally related to a 2-furoic acid. It is a conjugate acid of a N-(2-furoyl)glycinate.

Namen und Bezeichner

Bevorzugter Name
N-(2-Furoyl)Glycine
IUPAC
2-(furan-2-carbonylamino)acetic acid
Englischer Name
N-(2-Furoyl)glycine
Summenformel
C7H7NO4
Molmasse
169.13

Namen und Synonyme

N-(2-Furoyl)glycine5657-19-2FuroylglycineGlycine, N-(2-furanylcarbonyl)-2-(furan-2-carbonylamino)acetic acidCHEBI:82912DTXSID50205124RefChem:87232DTXCID501276152-FuroylglycinePyromucuric acidFurfuroylglycine
Weitere Namen anzeigen
AKOS BBS-00000709n-2-furoyl-glycinN-(2-furoyl)glycinate
N-(2-Furanylcarbonyl)glycineFuroilglicinaFuroilglicina [Italian]2-(Furan-2-carboxamido)acetic acidGLYCINE, N-2-FUROYL-BRN 0142378MFCD00030606(2-Furoylamino)acetic acid

Datenbank-Bezeichner

CAS
5657-19-2
PubChem CID
21863
DTXSID
DTXSID50205124
ChEMBL
CHEMBL456404
ChEBI
CHEBI:82912
UNII
F653J978YY
EC Number
624-229-6
Nikkaji
J75.723C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,1
Polarare Oberfläche (TPSA)
79,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Solubility31.7 mg/mL
Melting Point163 - 165 °C
Physical DescriptionSolid
Collision Cross Section134.65 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physikochemische Eigenschaften

Schmelzpunkt
163 · 163-165 °C(lit.)
Siedepunkt
466 · 466.0±25.0 °C(Predicted)
Dichte
1.367 · 1.367±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
2
RTECS-Nr.
MC0555300
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
hazard_class
IRRITANT

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm
Anwendungen · 1 Eintrag

Verwenden2-Furoylglycine is an intermediate used to prepare non-nucleoside inhibitors of HCV NS5b RNA polymerase. It is also used in the synthesis of benzimidazolylazabicyclooctylethylpiperidines as Ccr5 antagonists for the treatment of HIV infection.

Anbieter24 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]

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