기본 정보
- CAS
423169-68-0- 표준 SMILES
CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)O.Cl- InChIKey
SBBJJLDNKNNWFJ-UHFFFAOYSA-N- 분자식
- C20H26ClNO3
- 평균 분자량
- 363.9 g/mol
- 단동위원소 질량
- 363.1601214
개요
a leukotriene A4 hydrolase inhibitor; structure given in first source
이름 및 식별자
- 우선 이름
- SC 57461
- IUPAC
- 3-[3-(4-benzylphenoxy)propyl-methylamino]propanoic acid;hydrochloride
- 영어명
- SC 57461A
- 분자식
- C20H25NO3.ClH
- 분자량
- 363.882
이름 및 동의어
SC-57461ASC 57461SC-57461RefChem:181629423169-68-0SC 57461A3-(methyl(3-(4-(phenylmethyl)phenoxy)propyl)amino)propanoic acid3-((3-(4-benzylphenoxy)propyl)(methyl)amino)propanoic acid hydrochloride3-[3-(4-benzylphenoxy)propyl-methylamino]propanoic acid;hydrochlorideCHEMBL5434053-{[3-(4-BENZYLPHENOXY)PROPYL](METHYL)AMINO}PROPANOIC ACID HYDROCHLORIDEN-Methyl-N-[3-[4-(phenylmethyl)phenoxy]propyl]-ss-alanine Hydrochloride; SC-57461 Hydrochloride
이름 더 보기
SC-57461 HydrochlorideN-methyl-N-[3-[4-(phenylmethyl)phenoxy]propyl]-β-alaninehydrochlorideinhibit,SC57461A,SC 57461A,Leukotriene A4,SC-57461A,Inhibitor,Aminopeptidase,orally active,LTA4 hydrolase
MFCD00951253orb1306233SCHEMBL1895851DTXSID801018101N-methyl-N-(3-(4-(phenylmethyl)phenoxy)propyl)-beta-alanineEX-A4985Tox21_500988AKOS024457432
데이터베이스 식별자
- CAS
423169-68-0- PubChem CID
- 9820433
- DTXSID
DTXSID801018101- ChEMBL
CHEMBL543405- EC Number
- 663-284-0
물성
구조 계산 물성
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 347
물리화학적 성질
- 녹는점
- 163 · 163-165°C
- 저장 조건
- 4 °C · Desiccate at +4°C
- 용해도
- 5 mg/mL · 에 용해됨 DMSO: >5mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- InChI
- 1S/C20H25NO3.ClH/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17;/h2-4,6-11H,5,12-16H2,1H3,(H,22,23);1H
- InChIKey
- SBBJJLDNKNNWFJ-UHFFFAOYSA-N
- SMILES
- Cl.CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Leukotriene A4 (LTA4) hydrolase/aminopeptidase is a bifunctional zinc metalloenzyme that both catalyzes the synthesis of LTB4 from LTA4 and cleaves the chemotactic peptide Pro-Gly-Pro. SC-57461A is a potent, orally active inhibitor of LTA4 hydrolase that blocks ionophore-stimulated LTB4 synthesis in whole blood (IC50 = 49 nM). It blocks both the hydrolase and aminopeptidase activity in vitro. SC-57461A is without effect against other enzymes of the arachidonic acid cascade, including 5-lipoxygenase, LTC4 synthase, COX-1, and COX-2. In a rat model of ionophore-induced peritoneal eicosanoid production, SC-57461A inhibits LTB4 biosynthesis without affecting LTC4 or 6-keto prostaglandin F1α production . Oral or topical pretreatment with SC-57461A before challenge with arachidonic acid blocks ear edema in mice.
용도SC 57461A is a potent and selective inhibitor of LTA4.
공급사39 곳
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
淄博航宇生物科技发展有限公司13053322091 13053322091 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd+86-18341751992 +86-15382112998 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
ChemeGen 中国18818260767 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
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