기본 정보
- CAS
83602-39-5- 표준 SMILES
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C- InChIKey
PMATZTZNYRCHOR-JLPRAAIDSA-N- 분자식
- C62H111N11O12
- 평균 분자량
- 1,202.6 g/mol
- 단동위원소 질량
- 1,201.84136802
개요
cyclosporin h has been reported in Trichoderma polysporum and Tolypocladium inflatum with data available.
이름 및 식별자
- 우선 이름
- Cyclosporin H
- IUPAC
- (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
- 현지명
- 사이클로스포린H
- 영어명
- Cyclosporin H
- 분자식
- C62H111N11O12
- 분자량
- 1202.61
이름 및 동의어
Cyclosporin H83602-39-5Cyclosporine HCsh cyclosporinFUO6O3NDNHDTXSID801017527Cyclosporin A, 5-(N-methyl-D-valine)-SANDOZ-37-839(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((E,1R,2R)-1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undeconeRefChem:129982DTXCID301475716
이름 더 보기
사이클로스포린HCS-1030CS-1741Sandoz 37-839Cyclosporin H, >=95%Cyclosporin impurity HCyclosporine IMpurity-HCyclosporine Impurity 8Cyclosporin H, EvoPure?
876-190-1MFCD04039488(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone5-(N-Methyl-D-valine)cyclosporine APMATZTZNYRCHOR-JLPRAAIDSA-NUNII-FUO6O3NDNH[D-MeVal]11-CsA
데이터베이스 식별자
- CAS
83602-39-5- PubChem CID
- 6476564
- DTXSID
DTXSID801017527- ChEMBL
CHEMBL4448165- UNII
- FUO6O3NDNH
- EC Number
- 876-190-1
- Nikkaji
- J467.031K
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 279 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,330
물리화학적 성질
- 녹는점
- 148 · 148-151°C
- 끓는 점
- 1293.8 · 1293.8±65.0 °C(Predicted)
- 밀도
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열, 초음파 처리)
- 산도 계수 (pKa)
- 13.32 · 13.32±0.70(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 베이지색
- 생물학적 소스
- Tolypocladium inflatum
- InChIKey
- BQQHPBPTWWXRMU-SXHXJWHLSA-N
화학적 성질
White Powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 29420000
- Hazard Classifications
- Acute Tox. 4 OralCarc. 1BRepr. 1B
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
개요Cyclosporin H is a natural cyclic undecapeptide that selectively antagonizes the formyl peptide receptor at concentrations ranging from 0.1 to 10 μM. Unlike cyclosporin A , cyclosporin H does not bind cyclophilin to evoke an immunosuppressant response. Cyclosporin H has been reported to inhibit phorbol ester-mediated effects in mouse skin and block calcium/calmodulin-dependent EF-2 phosphorylation in vitro.
용도Cyclosporin H is a minor analogue of the cyclosporin family which is immunologically inactive as it does not bind to immunophilin. Cyclopsorin H is the most extensively investigated of the minor cyclosporin analogues and displays a range of activities. It is a potent inhibitor of tumour-promoting phorbol esters on mouse skin in vivo, and of calcium/calmodulin-dependent EF-2 phosphorylation in vitro, a potent and selective antagonist of formyl peptide receptor and inhibitor of formyl peptide-induced superoxide formation.
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
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重庆福腾医药有限公司18696571988 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
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TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
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