找化学品上960化工网!
960化工网

灵菌红素 | 82-89-3

灵菌红素结构式图片|82-89-3结构式图片
灵菌红素
Prodigiosin
82-89-3
C20H25N3O
323.43200469017
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:灵菌红素结构式
135408511
灵菌红素价格
简介
灵菌红素(Prodigiosin,正式名称为2-methyl-3-pentyl-6-methoxyprodiginine)是Prodiginin(中文名不详)的一种。它具有Prodiginin的基本结构,也就是三吡咯环,其中的一个吡咯环C2上带有一个甲基,C3上则有一个戊基。灵菌红素是一种红色物质,可由粘质沙雷氏菌(Serratia marcescens)等细菌合成的次级代谢产物(secondary metabolite)。
名称和标识符
InChIKey SZXDNGVQRDTJSD-UHFFFAOYSA-N
Inchi 1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21,23H,4-6,8H2,1-3H3
SMILES N1=C(C)C(CCCCC)=CC1=CC1=C(OC)C=C(C2NC=CC=2)N1
别名信息
- 中文别名 -
  • 靛蓝
  • 灵菌红素
- 英文别名 -
  • 2,2'-Bi-1H-pyrrole,4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-
  • NSC 47147
  • 2,2'-Bi-1H-pyrrole,4-Methoxy-5-[(5-Methyl-4-pentyl-2H-pyrrol-2-ylidene)Methyl]
  • 4-Methoxy-5-(4-pentyl-5-methyl-2H-pyrrole-2-ylidenemethyl)-2,2'-bi[1H-pyrrole]
  • 4-Methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl],2,2'bipyrrole
  • 4-Methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-2,2'-bi[1H-pyrrol]
  • 4-Methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-2,2'-bi[1H-pyrrole]
  • Prodigiosine
  • 2-Methyl-3-amyl-6-methoxyprodigiosene
  • Prodigiosin
  • 2,2′-Bipyrrole, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]- (7CI, 8CI)
  • 4-Methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-2,2′-bi-1H-pyrrole (ACI)
  • MeSH ID: D011353
  • 4-Methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)-2,2'-bipyrrole
  • (e)-4-methoxy-5-((5-methyl-4-pentyl-2h-pyrrol-2-ylidene)methyl)-2,2'-bi(1h-pyrrole)
  • 4-Methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl], 2,2'bipyrrole
  • 82-89-3
  • NSC-47147
  • (5E)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylene]-2-methyl-3-pentyl-pyrrole
  • CHEMBL1996518
  • C21565
  • SZXDNGVQRDTJSD-FOWTUZBSSA-N
  • BRN 4526727
  • 2,2'-BIPYRROLE, 4-METHOXY-5-((5-METHYL-4-PENTYL-2H-PYRROL-2-YLIDENE)METHYL)-
  • HY-100711
  • 2,2'-Bipyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)- (VAN)
  • HB4034
  • PRODIGIOSIN [MI]
  • NSC47147
  • 591771-60-7
  • MLS000736622
  • SCHEMBL23306421
  • SCHEMBL147407
  • UNII-OL369FU7CJ
  • SCHEMBL147409
  • OL369FU7CJ
  • BCP28541
  • 2,2'-bi-1H-Pyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)-
  • 5-26-03-00352 (Beilstein Handbook Reference)
  • CS-0020059
  • 2,2'-Bipyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)-(VAN)
  • 2, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-
  • 4-METHOXY-5-((5-METHYL-4-PENTYL-2H-PYRROL-2-YLIDENE)METHYL)-2,2'-BI-1H-PYRROLE
  • 5[(3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene)-methyl]-2-methyl-3-pentyl-1hpyrrole
  • FT-0699033
  • 2,2'-Bipyrrole, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-
  • 2,2'-bi-1H-Pyrrole, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-
  • PRODIGIOSIN
  • 2,2'-Bi-1H-pyrrole, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-
物化性质
实验特性
LogP 4.77610
PSA 53.17000
折射率 1.591
沸点 542.4°C at 760 mmHg
熔点 151-152°
蒸气压 No data available
闪点 281.8°C
溶解度 Insuluble (5.8E-3 g/L) (25 ºC),
颜色与性状 暗红色固体
密度 1.12±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 323.20000
氢键供体数量 2
氢键受体数量 3
可旋转化学键数量 6
同位素质量 323.2
重原子数量 24
复杂度 612
同位素原子数量 0
确定原子立构中心数量 0
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) 4.5
拓扑分子极性表面积 49.4A^2
海关数据
海关编码 3204151000
海关数据

中国海关编码:

3204151000
生产方法和用途
用途 主要用于棉纱、棉布、羊毛或丝绸的染色
合成路线

合成路线:1 步

反应条件:
参考文献:
Assessment of process parameters influencing the enhanced production of prodigiosin from Serratia marcescens and evaluation of its antimicrobial, antioxidant and dyeing potentials
Gulani, Chandni; et al, Malaysian Journal of Microbiology, 2012, 8(2), 116-122

合成路线:2 步

反应条件:
参考文献:
The chemistry of vicinal tricarbonyls. A total synthesis of prodigiosin
Wasserman, Harry H.; et al, Tetrahedron Letters, 1989, 30(13), 1725-8

合成路线:1 步

反应条件:
参考文献:
Assessment of process parameters influencing the enhanced production of prodigiosin from Serratia marcescens and evaluation of its antimicrobial, antioxidant and dyeing potentials
Gulani, Chandni; et al, Malaysian Journal of Microbiology, 2012, 8(2), 116-122

合成路线:1 步

反应条件:
参考文献:
Assessment of process parameters influencing the enhanced production of prodigiosin from Serratia marcescens and evaluation of its antimicrobial, antioxidant and dyeing potentials
Gulani, Chandni; et al, Malaysian Journal of Microbiology, 2012, 8(2), 116-122

合成路线:1 步

反应条件:
参考文献:
Total synthesis of prodigiosin
Boger, Dale L.; et al, Tetrahedron Letters, 1987, 28(22), 2499-502

合成路线:2 步

反应条件:
参考文献:
Pyrrole-singlet oxygen reactions leading to α,α'-bipyrroles. Synthesis of prodigiosin and analogs
Wasserman, Harry H.; et al, Tetrahedron Letters, 1999, 40(43), 7587-7589

合成路线:2 步

反应条件:
参考文献:
Condensing Enzymes from Pseudoalteromonadaceae for Prodiginine Synthesis
Brass, Hannah U. C.; et al, Advanced Synthesis & Catalysis, 2019, 361(11), 2659-2667

合成路线:2 步

反应条件:
参考文献:
Condensing Enzymes from Pseudoalteromonadaceae for Prodiginine Synthesis
Brass, Hannah U. C.; et al, Advanced Synthesis & Catalysis, 2019, 361(11), 2659-2667

合成路线:2 步

反应条件:
参考文献:
Total synthesis of prodigiosin, prodigiosene, and desmethoxyprodigiosin: Diels-Alder reactions of heterocyclic azadienes and development of an effective palladium(II)-promoted 2,2'-bipyrrole coupling procedure
Boger, Dale L.; et al, Journal of Organic Chemistry, 1988, 53(7), 1405-15

合成路线:2 步

反应条件:
参考文献:
Total synthesis of prodigiosin, prodigiosene, and desmethoxyprodigiosin: Diels-Alder reactions of heterocyclic azadienes and development of an effective palladium(II)-promoted 2,2'-bipyrrole coupling procedure
Boger, Dale L.; et al, Journal of Organic Chemistry, 1988, 53(7), 1405-15

合成路线:1 步

反应条件:
参考文献:
Enhancing production of prodigiosin from Serratia marcescens C3 by statistical experimental design and porous carrier addition strategy
Chen, Wei-Chuan; et al, Biochemical Engineering Journal, 2013, 78, 93-100

合成路线:1 步

反应条件:
参考文献:
Total synthesis of prodigiosin, prodigiosene, and desmethoxyprodigiosin: Diels-Alder reactions of heterocyclic azadienes and development of an effective palladium(II)-promoted 2,2'-bipyrrole coupling procedure
Boger, Dale L.; et al, Journal of Organic Chemistry, 1988, 53(7), 1405-15

合成路线:2 步

反应条件:
参考文献:
Total synthesis of prodigiosin
Boger, Dale L.; et al, Tetrahedron Letters, 1987, 28(22), 2499-502

合成路线:1 步

反应条件:
参考文献:
Assessment of process parameters influencing the enhanced production of prodigiosin from Serratia marcescens and evaluation of its antimicrobial, antioxidant and dyeing potentials
Gulani, Chandni; et al, Malaysian Journal of Microbiology, 2012, 8(2), 116-122

合成路线:1 步

反应条件:
参考文献:
Assessment of process parameters influencing the enhanced production of prodigiosin from Serratia marcescens and evaluation of its antimicrobial, antioxidant and dyeing potentials
Gulani, Chandni; et al, Malaysian Journal of Microbiology, 2012, 8(2), 116-122

合成路线:1 步

反应条件:
参考文献:
Assessment of process parameters influencing the enhanced production of prodigiosin from Serratia marcescens and evaluation of its antimicrobial, antioxidant and dyeing potentials
Gulani, Chandni; et al, Malaysian Journal of Microbiology, 2012, 8(2), 116-122
专业数据库参考
PubChemId 135408511
化合物详情(旧版)

SMILES

CCCCCC1=C(C)NC(=C1)\C=C2C(OC)=CC(=C3N=CC=C\3)/N\2

960化工网为您提供灵菌红素专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:82-89-3,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:82-89-3
平台客服 平台客服

平台在线客服