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基本情報
- CAS
80890-47-7- 標準SMILES
C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C- InChIKey
DJZCTUVALDDONK-HQMSUKCRSA-N- 分子式
- C46H75NO14
- 平均分子量
- 866.1 g/mol
- 単同位体質量
- 865.51875607
名称と識別子
- 優先名称
- Concanamycin A
- IUPAC
- [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate
- 現地名
- ホリミシン
- 英語名
- CONCANAMYCIN A
- 分子式
- C46H75NO14
- 分子量
- 866.09
名称と別名
concanamycin a80890-47-7TAN-1323 B[(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamateCHEBI:73167DTXSID501317320(5R)-3-O-(4-O-carbamoyl-2,6-dideoxy-beta-D-arabino-hexopyranosyl)-2,4-dideoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl}-4-methyl-5-[(1E)-prop-1-en-1-yl]-alpha-D-threo-pentopyranose((2R,3S,4R,6R)-6-((2R,4R,5S,6R)-2-((2S,3R,4S)-4-((2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxypentan-2-yl)-2-hydroxy-5-methyl-6-((E)-prop-1-enyl)oxan-4-yl)oxy-4-hydroxy-2-methyloxan-3-yl) carbamate(5R)-3-O-(4-O-carbamoyl-2,6-dideoxy-beta-D-arabino-hexopyranosyl)-2,4-dideoxy-1-C-((2S,3R,4S)-4-((2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxypentan-2-yl)-4-methyl-5-((1E)-prop-1-en-1-yl)-alpha-D-threo-pentopyranose
物性
構造計算による物性補完中
- XLogP
- 6
- 極性表面積
- 226 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 14
- 回転可能結合数
- 12
- 重原子数
- 61
- 形式電荷
- 0
- 複雑度
- 1,580
物理化学的性質
- 貯蔵温度
- 20 °C · −20°C
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
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P361+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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory InformationFolimycin: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 2 (100%)；Acute Tox. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 1 (100%)
法規制情報
Regulatory InformationFolimycin: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 10-21
- wgk
- 3
- rtecs
- CB9732000
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
サプライヤー10 社
江苏瑞点药业有限公司15896106238 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
山东济好生物科技有限公司+86-53169958659 +86-13153181156 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
湖北鸿运隆生物科技有限公司13554337556 13554337556 · [email protected]
江苏奥利司药业有限公司15950720386 · [email protected]
武汉丽合智造生物科技有限公司18971458902 · [email protected]
南京奥泽化工有限公司15189842686 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
美特（湖北）新材料有限责任公司13517221830; 13517221830 · [email protected]
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