기본 정보
- CAS
88321-09-9- 표준 SMILES
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C- InChIKey
SRVFFFJZQVENJC-IHRRRGAJSA-N- 분자식
- C17H30N2O5
- 평균 분자량
- 342.4 g/mol
- 단동위원소 질량
- 342.21547206
개요
Aloxistatin is an L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide. It has a role as an anticoronaviral agent and a cathepsin B inhibitor. It is an ethyl ester, a L-leucine derivative, a monocarboxylic acid amide and an epoxide.
이름 및 식별자
- 우선 이름
- Aloxistatin
- IUPAC
- ethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
- 영어명
- EST
- 분자식
- C17H30N2O5
- 분자량
- 342.43
이름 및 동의어
Aloxistatin88321-09-9E-64DLoxistatinE 64dAloxistatinaAloxistatineAloxistatinumE 64c ethyl esterE64dL5W337AOURNSC-694281
이름 더 보기
ESTep453EstateCS-1622oxistatinNSC694281E64d,E-64dLOXASTATIN
ethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylateEthyl (+)-(2S,3S)-2,3-epoxy-N-((S)-1-(isopentylcarbamoyl)-3-methylbutyl)succinamateCHEBI:101381DTXSID00904150ethyl (2S,3S)-3-(((2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl)carbamoyl)oxirane-2-carboxylateEP-453protease inhibitor E64dRefChem:110983
데이터베이스 식별자
- CAS
88321-09-9- PubChem CID
- 65663
- DTXSID
DTXSID00904150- ChEMBL
CHEMBL63440- ChEBI
CHEBI:101381- UNII
- L5W337AOUR
- EC Number
- 635-831-3
- Nikkaji
- J22.181C
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 97 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 450
물리화학적 성질
- 녹는점
- 126.2 °C · 126.2°C
- 끓는 점
- 477.88 °C · 477.88°C (rough estimate)
- 밀도
- 1.0657 · 1.0657 (rough estimate)
- 굴절률
- 1.58 · 1.5800 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- DMSO, DMF 또는 에탄올에 용해됨
- 물리적 상태
- 흰색 고체
- 산도 계수 (pKa)
- 13.32 · 13.32±0.40(Predicted)
- 색상
- 에탄올에서 얻은 바늘 결정체
- 생물학적 소스
- synthetic (organic)
- 안정성
- 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°C에서 최대 1개월 동안 보관할 수 있습니다.
- InChI
- 1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
- InChIKey
- SRVFFFJZQVENJC-IHRRRGAJSA-N
- SMILES
- N([C@@H](CC(C)C)C(=O)NCCC(C)C)C(=O)[C@H]1O[C@@H]1C(=O)OCC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 2
- rtecs
- RR0404300
- ridadr
- 3077
- 독성
- cyt-ham:lng 200 mg/L IYKEDH 17,815,86
- HS 번호
- 29242990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Exogenous and endogenous compounds which inhibit CYSTEINE ENDOPEPTIDASES.
응용 분야
개요E-64d is an irreversible, membrane-permeable inhibitor of lysosomal and cytosolic cysteine proteases and has diverse biological activities. It is a synthetic analog of E-64 and prodrug form of E-64c that inhibits calpain and the cysteine proteases cathepsins F, -K, -B, -H, and -L. E-64d (20-200 μM) induces cell cycle arrest at the G2/M phase in A431 human epidermoid carcinoma cells. It inhibits protease-resistant prion protein accumulation in scrapie-infected neuroblastoma cells with an IC50 value of 0.5 μM. E-46d also inhibits entry of vesicular stomatitis virus (VSV) particles pseudotyped with severe acute respiratory syndrome coronavirus (SARS-CoV) or SARS-CoV-2 spike glycoprotein into Vero cells, an effect that is reduced by expression of the serine protease TMPRSS2.
상·하류 제품 정보
상류 원료
공급사100 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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