Ranirestat
Grundinformationen
- CAS
147254-64-6- Standard-SMILES
O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12- InChIKey
QCVNMNYRNIMDKV-QGZVFWFLSA-N- Summenformel
- C17H11BrFN3O4
- Durchschnittliche Molmasse
- 420,2 g/mol
- Monoisotopische Masse
- 418,9917
Überblick
Ranirestat is an organic molecular entity. It has a role as an EC 1.1.1.21 (aldehyde reductase) inhibitor.
Namen und Bezeichner
- Bevorzugter Name
- Ranirestat
- IUPAC
- (3R)-2'-[(4-bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
- Englischer Name
- (3R)-2'-(4-Bromo-2-fluorobenzyl)spiro[pyrrolidine-3,4'-1'H-pyrrolo[1,2-a]pyrazine]-1',2,3',5(2'H)-tetraone
- Summenformel
- C17H11BrFN3O4
- Molmasse
- 420.19
Namen und Synonyme
Ranirestat147254-64-6AS-3201Z26P56GFTVSX-3030SX 3201DTXSID80163642SX-3202(3R)-2'-(4-Bromo-2-fluorobenzyl)spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetroneranirestatumRefChem:875121DTXCID0086133
Weitere Namen anzeigen
AS 3201SX-3201RaniestatSX-3201Ranirestat,AS-3201Ranirestat >=97% (HPLC)(3R)-2'-(4-Bromo-2-fluorobenzyl)spiro[pyrrolidine-3,4'-1'H-pyrrolo[1,2-a]pyrazine]-1',2,3',5(2'H)-tetraone
Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)-, (3R)-(3R)-2'-((4-bromo-2-fluorophenyl)methyl)-2',3'-dihydro-1'H-spiro(pyrrolidine-3,4'-pyrrolo(1,2-a)pyrazine)-1',2,3',5-tetrone110-113-8Ranirestat [INN](3R)-2'-[(4-bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetroneCHEMBL334830(R)-2'-(4-bromo-2-fluorobenzyl)-1'H-spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5(2'H)-tetraoneC17H11BrFN3O4
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 88,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 689
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 192 · 192-193℃
- Siedepunkt
- 702.7 · 702.7±60.0 °C(Predicted)
- Dichte
- 1.83 · 1.83
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- Löslichkeit
- 20 mg/mL, · DMSO: 20mg/mL, clear
- pka
- 10.48 · 10.48±0.20(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Off-white to pink
- InChI
- 1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1
- InChIKey
- QCVNMNYRNIMDKV-QGZVFWFLSA-N
- SMILES
- O=C(N1CC2=C(F)C=C(Br)C=C2)C3=CC=CN3[C@@]4(CC(NC4=O)=O)C1=O
Sicherheit und Regulatorisches
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
Ranirestat alleviates diabetic neuropathy, a complication of diabetes, by inhibiting aldose reductase and thereby inhibiting the accumulation of intracellular sorbitol that causes diabetic neuropathy. This drug has a stronger inhibitory effect and is longer acting compared to other drugs in this therapeutic area. Ranirestat showed good penetration into the nerve tissue, resulting in dose-dependent inhibition of intraneural accumulation of sorbitol and fructose in a clinical study.
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Anwendungen
VerwendenRanirestat is an aldose reductase inhibitor used for the treatment of diabetic sensorimotor polyneuropathy.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter26 Anbieter
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司
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