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기본 정보
- CAS
256414-75-2- 표준 SMILES
FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)c1- InChIKey
OYMNPJXKQVTQTR-UHFFFAOYSA-N- 분자식
- C20H10F6N2OS
- 평균 분자량
- 440.368 g/mol
- 단동위원소 질량
- 440.04180326
이름 및 식별자
- 우선 이름
- SEW2871
- IUPAC
- 5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
- 영어명
- 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
- 분자식
- C20H10F6N2OS
- 분자량
- 440.36
이름 및 동의어
SW2871SEW 2871BUTTPARK 82\12-95SEW 2871, S1P1 agonistSEW2871, 10 mM in DMSOS1P? Receptor Agonist, SEW2871SPHINGOSINE-1-PHOSPATE, RECEPTOR S1P1 AGONISTS1P Receptor Agonist, SEW2871 - CAS 256414-75-2 - Calbiochem5-[4-Phenyl-5-(trifluoromethyl)thien-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
데이터베이스 식별자
- CAS
256414-75-2- PubChem CID
- 4077460
- DTXSID
DTXSID80399085- ChEMBL
CHEMBL224720- ChEBI
CHEBI:92283- EC Number
- 636-741-7
- Nikkaji
- J2.289.571K
물성
물리화학적 성질
- 녹는점
- 94.5 · 94.5-95.3 °C
- 끓는 점
- 490.3 · 490.3±55.0 °C(Predicted)
- 밀도
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 17 mg/mL · DMSO: 17mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -3.48 · -3.48±0.43(Predicted)
- 색상
- 하얀색
- InChI
- 1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
- InChIKey
- OYMNPJXKQVTQTR-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cccc(c1)-c2noc(n2)-c3cc(-c4ccccc4)c(s3)C(F)(F)F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- HS 번호
- 2934999090
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
개요Sphingosine-1-phosphate receptor 1 (S1P1) is one of five high affinity G protein-coupled S1P receptors which mediate a variety of effects including lymphocyte recirculation in the blood. Non-selective S1P receptor agonists, such as FTY720, produce clinical immunosuppression useful for preventing transplant rejection and treating autoimmune diseases. However, they also cause bradycardia by activating S1P3, the receptor responsible for regulation of heart rate. SEW2871 is a selective S1P1 receptor agonist in both human and mouse that is not active at the S1P2-5 receptors. SEW2871, therefore, suppresses the immune response by decreasing the number of lymphocytes circulating in blood without causing bradycardia.
용도5-[4-PHENYL-5-(TRIFLUOROMETHYL)-2-THIENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE is used as medicament for treating and/or preventing cardiovascular conditions in patients with Fabry disease.
공급사52 곳
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