아트렐류톤

Atreleuton

HCID 3086671

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 154355-75-6
표준 SMILES: C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
InChIKey: MMSNEKOTSJRTRI-LLVKDONJSA-N
분자식: C16H15FN2O2S
평균 분자량: 318.4 g/mol
단동위원소 질량: 318.08382694

개요

Atreleuton has been used in trials studying the treatment of Atherosclerosis and Coronary Artery Disease.

이름 및 식별자

우선 이름: Atreleuton
IUPAC: 1-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
현지명: 아트렐류톤
영어명: ATRELEUTON
분자식: C16H15FN2O2S
분자량: 318.37

이름 및 동의어

Atreleuton154355-76-7Abbott-85761VIA-2291VIA2291U301T88E1M1-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyureaA-85761.0A-85761DTXSID10165598atreleutonum1-((2R)-4-(5-((4-fluorophenyl)methyl)thiophen-2-yl)but-3-yn-2-yl)-1-hydroxyurea

이름 더 보기

아트렐류톤COX/5-LO-IN-1Atreleuton analogCOX/5LOIN1,COX/5 LO IN 1Urea, N-[3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl-2-propyn-1-yl]-N-hydroxy-

RefChem:560332DTXCID1088089N-(3-(5-((4-fluorophenyl)methyl)-2-thienyl)-1-methyl-2-propynyl)-N-hydroxyurea((R)-3-(5-(p-Fluorobenzyl)-2-thienyl)-1-methyl-2-propynyl)-1-hydroxyureaABT-761ABT 761Atreleuton [USAN:INN]VIA 2291

데이터베이스 식별자

CAS: 154355-75-6、154355-76-7
PubChem CID: 3086671
DTXSID: DTXSID10165598
ChEMBL: CHEMBL59356
UNII: U301T88E1M
EC Number: 604-947-6
Nikkaji: J710.520G

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 94.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 454

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 506.7 · 506.7±60.0 °C(Predicted)
밀도: 1.37 · 1.37±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: DMSO에 용해됨
산도 계수 (pKa): 9.63 · 9.63±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.

응용 분야

용도Anti-asthmatic; inhibitor (5-lipoxygenase).

공급사14 곳

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]

天津普西唐生物医药科技有限公司010-60605840 · [email protected]

화합물 노트

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