Gpi-1485

HCID 9837656CAS 186268-78-0

基本情報

標準SMILES: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
InChIKey: FOPALECPEUVCTL-QMMMGPOBSA-N
分子式: C12H19NO4
平均分子量: 241.28 g/mol
単同位体質量: 241.13140809

概要

GPI 1485 is a product candidate that belongs to a class of small molecule compounds called neuroimmunophilin ligands. In preclinical experiments, neuroimmunophilin ligands have been shown to repair and regenerate damaged nerves without affecting normal, healthy nerves. GPI 1485 is being studied in phase 2 clinical trials for the treatment of Parkinson's disease and post-prostatectomy erectile dysfunction and in pre-clinical development for HIV related dementia and neuropathy.

名称と識別子

優先名称: Gpi-1485
IUPAC: (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid
英語名: (2S)-1-(1',2'-DIOXO-3',3'-DIMETHYL-PENTYL)-2-PYRROLIDINE-CARBOXYLIC ACID
分子式: C12H19NO4
分子量: 241.28

名称と別名

186268-78-0GPI-1485GPI 1485L-Proline, 1-(3,3-dimethyl-1,2-dioxopentyl)-(2S)-1-(1,2-DIOXO-3,3-DIMETHYLPENTYL)-2-PYRROLIDINECARBOXYLIC ACIDUNII-0709BVY57W0709BVY57W1-(1,2-Dioxo-3,3-dimethylpentyl)-2-pyrrolidine carboxylic acid, 2S(2S)-1-(3,3-DIMETHYL-2-OXOPENTANOYL)-2-PYRROLIDINECARBOXYLIC ACIDNIL-A cpdNIL-A1 cpdNIL-A2 cpd

名称をさらに表示

GPI-1485 LGPI-1485, 10 mM in DMSO(2S)-1-(3,3-Dimethyl-2-oxopentanoyl)-pyrrolidine-2-carboxylic acid(2S)-1-(1',2'-DIOXO-3',3'-DIMETHYL-PENTYL)-2-PYRROLIDINE-CARBOXYLIC ACIDneurofunctional,regeneration,Inhibitor,ligand,stroke,GPI-1485,GPI 1485,inhibit,immunophilin,neural,GM 1485,GM-1485,GPI1485

NIL-A3 cpdRefChem:144222GPI1485GM1485848859-43-8(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid(S)-1-(3,3-Dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acidMFCD02179274

データベース識別子

CAS: 186268-78-0
PubChem CID: 9837656
DTXSID: DTXSID601379870
ChEMBL: CHEMBL4297382
UNII: 0709BVY57W
EC Number: 696-220-5
Nikkaji: J1.264.897I

物性

構造計算による物性

XLogP: 1.5
極性表面積: 74.7 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 348

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

沸点: 386.2 · 386.2±52.0 °C(Predicted)
比重(密度): 1.188 · 1.188±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: Soluble in DMSO
酸解離定数(Pka): 3.25 · 3.25±0.20(Predicted)
外見: Solid
色: White to light yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2933998090

化学と産業

薬理情報

Mechanism of Action · 1 件

GPI 1485 belongs to a class of small molecule compounds called neuroimmunophilin ligands which are a family of binding proteins that are highly conserved in nature and mediate the actions of immunosuppressant drugs. The FK-506-binding protein (FKBP) subclass of immunophilin bind FK-506 and rapamycin and are of particular interest due to their potent neurotrophic activity.