5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid (HCID 91605)

이름 및 식별자

우선 이름: 5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid
IUPAC: 2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid
영어명: Sulindac sulfide
분자식: C20H17FO2S
분자량: 340.41

이름 및 동의어

32004-67-45-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid5-Fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-1H-indene-3-acetic acidRefChem:303158250-892-2C20H17FO2S1H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-, (1Z)-5-Fluoro-2-methyl-1-(p-methylthiobenzylidene)-3-indenyl acetic acid1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-EINECS 250-892-21H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(p-(methylthio)benzylidene)-orb322576

이름 더 보기

5-F4F5fmdemb2201SULINDAC SULFIDESULINDAC SULPHIDESulindac Sulfide >Sulindac EP Impurity C(E/Z)-Sulindac sulfideSulindacSulfideCAS 32004-67-4Calbiochem

SCHEMBL2221399DTXSID00860606AKOS030242549DB-048139NS00015433NS00089407Q271670995-Fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-ylaceticacid

데이터베이스 식별자

CAS: 32004-67-4
PubChem CID: 91605
DTXSID: DTXSID00860606
EC Number: 250-892-2

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 62.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 24
형식 전하: 0
복잡도: 546

물리화학적 성질

녹는점: 189 · 189-191°C
끓는 점: 526.3 · 526.3±50.0 °C(Predicted)
밀도: 1.3 · 1.30±0.1 g/cm3(Predicted)
저장 조건: 15 C · +15C to +30C
용해도: 22 mg/mL · 에 용해됨 DMSO: >22mg/mL
물리적 상태: 고체
산도 계수 (pKa): 4.26 · 4.26±0.10(Predicted)
색상: 노란색
안정성: 2 · 제공된 대로 구매일로부터 2년 동안 안정적입니다. DMSO 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
InChI: InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)
InChIKey: LFWHFZJPXXOYNR-UHFFFAOYSA-N
SMILES: C1(=CC2=CC=C(SC)C=C2)C2=C(C=C(F)C=C2)C(CC(O)=O)=C1C

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (97.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 10-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19248

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Skin Sens. 1 (100%)；Resp. Sens. 1 (97.6%)；Repr. 2 (100%)

규제 정보

Regulatory InformationStatus: Active Update: 10-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19248

안전 데이터

wgk: 3
HS 번호: 2930.90.2900
risk_code: 22-42/43-63
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 OralRepr. 2Resp. Sens. 1Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요Sulindac sulfide is an aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. It has a role as a non-steroidal anti-inflammatory drug, an apoptosis inducer and an antineoplastic agent. It is an aryl sulfide, an organofluorine compound and a monocarboxylic acid. It derives from a sulindac.

용도Sulindac sulfide is an active metabolite of Sulindac that inhibits for COX. Sulindac is a non-steroidal anti-inflammatory drug. Inhibits cyclooxygenase, but induces apoptosis by a cyclooxygenase-independent mechanism. Inhibition of Ras activation of Ref-1. Impairs nucleotide exchange on Ras by CDC25 and accelerates Ras hydrolysis of GTP b.

공급사46 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

불러오는 중…

5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid

기본 정보