基本情報
- CAS
83602-39-5- 標準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- 分子式
- C62H111N11O12
- 平均分子量
- 1,202.6 g/mol
- 単同位体質量
- 1,201.84136802
概要
cyclosporin h has been reported in Trichoderma polysporum and Tolypocladium inflatum with data available.
名称と識別子
- 優先名称
- 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
- 現地名
- シクロスポリンH
- 英語名
- Cyclosporin H
- 分子式
- C62H111N11O12
- 分子量
- 1202.61
名称と別名
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
名称をさらに表示
シクロスポリンH(3R,4R)-3-ヒドロキシ-N-メチル-5-[(E)-1-プロペニル]-シクロ(L-Leu-L-Abu-Sar-N-メチル-L-Leu-L-Val-N-メチル-L-Leu-L-Ala-D-Ala-N-メチル-L-Leu-N-メチル-L-Leu-N-メチル-D-Val-)(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-エチル-33-[(1R,2R,4E)-1-ヒドロキシ-2-メチルヘキサ-4-エン-1-イル]-1,4,7,10,12,15,19,25,28-ノナメチル-6,9,18,24-テトラキス(2-メチルプロピル)-3,21-ビス(プロパン-2-イル)-1,4,7,10,13,16,19,22,25,28,31-ウンデカアザシクロトリトリアコンタン-2,5,8,11,14,17,20,23,26,29,32-ウンデカオン
物性
構造計算による物性
- XLogP
- 7.5
- 極性表面積
- 279 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 12
- 回転可能結合数
- 15
- 重原子数
- 85
- 形式電荷
- 0
- 複雑度
- 2,330
物理化学的性質
- 融点
- 148 · 148-151°C
- 沸点
- 1293.8 · 1293.8±65.0 °C(Predicted)
- 比重(密度)
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- クロロホルム（わずかに）、メタノール（わずかに、加熱、超音波処理）
- 酸解離定数(Pka)
- 13.32 · 13.32±0.70(Predicted)
- 外見
- 粉
- 色
- 白からベージュ
- 由来生物
- Tolypocladium inflatum
- InChIKey
- BQQHPBPTWWXRMU-SXHXJWHLSA-N
化学的性質
化学的特性White Powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- WGK 3
- hs_code
- 29420000
- Hazard Classifications
- Acute Tox. 4 OralCarc. 1BRepr. 1B
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
応用分野
説明Cyclosporin 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.
使用Cyclosporin 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.
サプライヤー100 社
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]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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