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微囊藻毒素LR | 101043-37-2

微囊藻毒素LR
Microcystin-LR
101043-37-2
C49H74N10O12
995.1717
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:微囊藻毒素LR结构式
445434
微囊藻毒素LR价格
简介
Microcystin-LR 是蛋白磷酸酶 1 型和 2A 型 (PP1/2A) 的有效抑制剂,其 IC50 值分别为 1.7 nM,0.04 nM。
名称和标识符
InChIKey ZYZCGGRZINLQBL-GWRQVWKTSA-N
Inchi 1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
SMILES O=C1[C@]([H])(C([H])([H])C([H])([H])C([H])([H])/N=C(\N([H])[H])/N([H])[H])N([H])C([C@@]([H])(C([H])([H])[H])[C@]([H])(C(=O)O[H])N([H])C([C@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([C@@]([H])(C([H])([H])[H])N([H])C(C(=C([H])[H])N(C([H])([H])[H])C(C([H])([H])C([H])([H])[C@]([H])(C(=O)O[H])N([H])C([C@@]([H])(C([H])([H])[H])[C@]([H])(/C(/[H])=C(\[H])/C(/C([H])([H])[H])=C(\[H])/[C@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])OC([H])([H])[H])N1[H])=O)=O)=O)=O)=O)=O
BRN 4779759
别名信息
- 中文别名 -
  • 微囊藻毒素LR
  • 微囊藻毒素(LR亚型)
  • 微囊藻毒素-LR
  • 微囊藻毒素LR 标准品
  • 微囊藻毒素
  • 快速死亡因子
  • 微囊藻毒素-LR 溶液
  • 微囊藻毒素LR标准品
- 英文别名 -
  • Cyclo[2,3-didehydro-N-methylalanyl-D-alanyl-L-leucyl-(3S)-3-methyl-D-b-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl-D-g-glutamyl]
  • 5-L-Arginine-microcystin LA
  • Microcystin LR
  • Microcystin-LR
  • Microcystin-LR solution
  • 5-L-Arginine-cyanoginosin
  • akerstox
  • C05371
  • CYANOGINOSIN-LR
  • cyclo(D-Ala-L-Leu-D-MeAsp-L-Arg-Adda-D-Glu-Mdha)
  • MC-LR
  • MCYST-LR
  • microcystin-a
  • Toxin T 17 (Microcystis aeruginosa)
  • TOXIN,BLUE-GREENALGA
  • toxin-lr
  • Microcystin LR 95%
  • Cyanoginosin LR
  • Microcystis aeruginosa toxin
  • C49H74N10O12
  • EQ8332842Y
  • Microcystin-LR, Microcystis aeruginosa
  • Toxin I (Microcystis aeruginosa)
  • 5-L-Argininecyanoginosin LA
  • toxin I, cyanobacterium
  • toxin t-17 (Microcystis aeruginosa)
  • NSC 733608
  • DTXSID3031654
  • Toxin, blue green alga, Microcystis aeruginosa
  • GTPL4735
  • 8-[3-amino(imino)methylaminopropyl]-15-isobutyl-5-[6-methoxy-3,5-dimethyl-7-phenyl-(1E,3E)-1,3-heptadienyl]-4,11,18,22-tetramethyl-21-methylene-3,7,10,14,17,20,23-heptaoxo-2,6,9,13,16,19,22-heptaazacyclopentacosane-1,12-dicarboxylic acid
  • cyclo[2,3-didehydro-N-methylalanyl-D-alanyl-L-leucyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl]
  • 1,7-ANHYDRO(D-ALANYL-L-LEUCYL-(3S)-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-3-AMINO-4,5,6,7-TETRADEHYDRO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECANOYL-D-.GAMMA.-GLUTAMYL-2,3-DIDEHYDRO-N-METHYLALANINE)
  • Cyanoginosin-LR
  • CHEBI:6925
  • MICROCYSTIN-LR [HSDB]
  • CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-LEUCYL-(3S)-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-4,6-DECADIENOYL-D-.GAMMA.-GLUTAMYL)
  • (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
  • 1,7-anhydro[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanine]
  • 101043-37-2
  • Microcystin-a
  • Toxin-LR
  • MCLR
  • Cyanoginosin-LR
  • MC-LR
  • Toxin T 17 (Microcystis aeruginosa)
  • 1ST9122
  • 1ST9122-20M
  • Microcystin LR Solution in Methanol, 20ug/mL
  • Q6839436
  • cyclo[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanyl]
  • HSDB 7751
  • NSC-733608
  • MICROCYSTIN-LR [IARC]
  • 15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid
  • HY-P0072
  • CHEMBL444092
  • 15-(3-Guanidino-propyl)-8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid
  • CS-5404
  • UNII-EQ8332842Y
  • NSC733608
  • SCHEMBL21245230
  • microcystin-la, 5-l-arginine-
  • BRN 4779759
  • BDBM50061067
  • CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-LEUCYL-ERYTHRO-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-4,5,6,7-TETRADEHYDRO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-3-AMINODECANOYL-D-.GAMMA.-GLUTAMYL)
  • Cyanoginosin LA, 5-L-arginine-
  • cyclo(Ala-Leu-MAsp-Arg-Adda-isoGlu-Mdha)
  • Akerstox
物化性质
实验特性
LogP 3.92970
PSA 340.64000
折射率 1.598
沸点 No data available
熔点 No data available
闪点 11 °C
溶解度 ethanol: 1 mg/mL
颜色与性状 薄膜状固体
溶解性 未确定
密度 1.3±0.1 g/cm3
计算特性
精确分子量 994.549
氢键供体数量 10
氢键受体数量 13
可旋转化学键数量 15
同位素质量 994.549
重原子数量 71
复杂度 2000
同位素原子数量 0
确定原子立构中心数量 10
不确定原子立构中心数量 0
确定化学键立构中心数量 2
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.3
互变异构体数量 1001
表面电荷 0
拓扑分子极性表面积 343
专业数据库参考
PubChemId 445434
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