(R)-2-프로필록탄산

(R)-(-)-2-propyloctanoic acid

HCID 208925CAS 185517-21-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCC[C@@H](CCC)C(=O)O
InChIKey: YCYMCMYLORLIJX-SNVBAGLBSA-N
분자식: C11H22O2
평균 분자량: 186.29 g/mol
단동위원소 질량: 186.16197994

개요

Arundic acid has been investigated for the treatment of Amyotrophic Lateral Sclerosis (ALS).

이름 및 식별자

우선 이름: (R)-(-)-2-propyloctanoic acid
IUPAC: (2R)-2-propyloctanoic acid
현지명: (R)-2-프로필록탄산
영어명: (R)-2-PROPYLOCTANOIC ACID
분자식: C11H22O2
분자량: 186.29

이름 및 동의어

(R)-(-)-2-Propyloctanoic AcidRefChem:560127Arundic acid185517-21-9(R)-2-PROPYLOCTANOIC ACID(2R)-2-Propyloctanoic acidCereactProgliaR-(-)-Arundic AcidONO-2506Acide arundiqueONO 2506

이름 더 보기

(R)-2-프로필록탄산ONO 2506POarundicaciArundic Acid, 10 mM in DMSO

Acidum arundicumArundic acid [INN]MFCD08458423MK-0724Acidum arundicum [INN-Latin]ONO-2506POUNII-F2628ZD0FOF2628ZD0FO

데이터베이스 식별자

CAS: 185517-21-9
PubChem CID: 208925
DTXSID: DTXSID5048841
ChEMBL: CHEMBL3187683
UNII: F2628ZD0FO
Nikkaji: J977.037B

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 8
무거운 원자 수: 13
형식 전하: 0
복잡도: 132

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 289 ℃ · 289℃
밀도: 0.908 · 0.908
인화점: 154 ℃ · 154℃
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 에탄올(약간 용해됨), 아세트산에틸(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 4.82 · 4.82±0.40(Predicted)
색상: 투명 무색~투명 담황색
InChI: 1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKey: YCYMCMYLORLIJX-SNVBAGLBSA-N
SMILES: OC(=O)[C@@H](CCCCCC)CCC

화학적 성질

Clear Colorless Oil

안전 및 규제

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Mechanism of Action · 1건

ONO-256 is a neuroprotective because of its actions on glia cells. It has inhibitory effects on the synthesis of a calcium-binding protein S100B. ONO-2506 is undergoing clinical trials for the treatment of patients with stroke and Alzheimer's disease.

응용 분야 · 2건

개요Arundic acid is an inhibitor of astrocyte activation. It reduces increases in brain glial fibrillary acid protein (GFAP) and S100β levels, markers of astrocyte activation, in a rat model of permanent focal ischemia induced by middle cerebral artery occlusion when administered at a dose of 10 mg/kg. Arundic acid (3 and 10 mg/kg) decreases the number of TUNEL-positive neurons, reduces infarct size, and improves motor performance in the rotarod test in the same model. It also reduces descent time and time to turn in a pole test, indicating reversal of motor deficits, in a mouse model of MPTP-induced Parkinson''s disease when administered at a dose of 30 mg/kg.

용도An astrocyte modulating agent, in acute ischemic stroke.