Safinamide Mesylate

HCID 3038502

기본 정보

CAS
202825-46-5
표준 SMILES
CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
InChIKey
YKOCHIUQOBQIAC-YDALLXLXSA-N
분자식
C18H23FN2O5S
평균 분자량
398.5 g/mol
단동위원소 질량
398.13117106

개요

See also: Safinamide (has active moiety).

이름 및 식별자

우선 이름
Safinamide Mesylate
IUPAC
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
영어명
Safinamide mesylate
분자식
C17H19FN2O2.CH4O3S
분자량
398.4490232

이름 및 동의어

Safinamide mesylate202825-46-5Safinamide mesilatePNU-151774ENW-1015PNU 151774Esafinamide methanesulfonateNW 1015Safinamide methansulfonateYS90V3DTX0DTXSID80942414RefChem:57041
이름 더 보기
Safinamide MesyalteSafinamtde MesytateEMD 1195686 MesylatePNU-151774E,FCE28073PNU-151774E, NW-1015
DTXCID401513442(S)-()-2-(4-(3-Fluorobenzyloxy) benzylamino)propanamide, Methanesulfonate(S)-2-((4-((3-Fluorobenzyl)oxy)benzyl)amino)propanamide methanesulfonateSafinamide (mesylate)Safinamide mesylate [USAN]FCE-28073MFCD15145475Equfina (TN)

데이터베이스 식별자

CAS
202825-46-5
PubChem CID
3038502
DTXSID
DTXSID80942414
ChEMBL
CHEMBL48582
UNII
YS90V3DTX0
EC Number
606-485-0

물성

구조 계산 물성

극성 표면적
127 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
27

실험 및 물리화학적 성질

Human Drugs · 3건

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
210 ° · 210° (dec)
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: ≥15mg/mL
물리적 상태
가루
색상
흰색에서 황갈색까지
수용성
2 O: · H2O: ≥15mg/mL
화학적 성질 · 1건

Safinamide mesylate is a white to off-white crystalline powder. Safinamide mesylate is freely soluble in water, methanol and dimethyl sulfoxide. Safinamide mesylate is sparingly soluble in ethanol and is practically insoluble in ethyl acetate. In aqueous buffers that span a pH range of 1.2 to 7.5, safinamide mesylate is highly soluble at pH 1.2 and 4.5 but shows low solubility (<0.4 mg/mL) at pH 6.8 and 7.5.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (90.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (90.5%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Safinamide mesylate

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

안전 데이터

wgk
3
ridadr
UN 2811 6.1 / PGIII
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Repr. 2
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

SAFINAMIDE MESYLATE

Monoamine Oxidase-B Inhibitors [MoA]; Monoamine Oxidase Type B Inhibitor [EPC]; Breast Cancer Resistance Protein Inhibitors [MoA]

응용 분야 · 2건

개요Safinamide methanesulfonate was approved in February 2015 by the EMA for the treatment of mid- to late-stage fluctuating Parkinson’s disease. This approval included use of the drug as an add-on therapy for use with levodopa, either alone or in combination with other existing therapies for Parkinson’s disease.51 Safinamide methanesulfonate, an oral α-aminoamide originally discovered by Farmitalia Carlo Erba and later developed by Newron/Zambon, functions as a highly selective and reversible inhibitor of MAO-B, leading to increased levels of dopamine and subsequent improvement in the motor symptoms of Parkinson’s disease, side effects that often result from use of other traditional treatments relying on dopamine replacement therapy.

용도Safinamide mesylate salt has been used as a reference drug to study its inhibitory effect on human monoamine oxidases (hMAO-A and hMAO-B).

공급사100 곳

兄弟科技股份有限公司0573-87006360
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
山东雨禾医药科技有限公司15263077727

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8건

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