Gpi-1485

HCID 9837656CAS 186268-78-0

기본 정보

표준 SMILES: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
InChIKey: FOPALECPEUVCTL-QMMMGPOBSA-N
분자식: C12H19NO4
평균 분자량: 241.28 g/mol
단동위원소 질량: 241.13140809

개요

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.

이름 및 식별자

우선 이름: Gpi-1485
IUPAC: (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid
영어명: (2S)-1-(1',2'-DIOXO-3',3'-DIMETHYL-PENTYL)-2-PYRROLIDINE-CARBOXYLIC ACID
분자식: C12H19NO4
분자량: 241.28

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 74.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 348

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 386.2 · 386.2±52.0 °C(Predicted)
밀도: 1.188 · 1.188±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: DMSO에 용해됨
산도 계수 (pKa): 3.25 · 3.25±0.20(Predicted)
물리적 상태: Solid
색상: White to light yellow

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933998090

화학 및 산업

약리 정보

Mechanism of Action · 1건

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.