Anidulafungin（CAS番号：166663-25-8）

基本情報

CAS番号

166663-25-8

分子式

C58H73N7O17

分子量

1140.25 g/mol

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基本的な物理特性

沸点

1477°C at 760 mmHg

溶解度

Practically insoluble

SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC=C(C=C7)O)O)O)C(C)O)C)O)O)O

InChI

InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1

InChIKey

JHVAMHSQVVQIOT-MFAJLEFUSA-N

LogP

-0.9270999999999889

トポロジカル極性表面積

377.4200000000001 Å²

水素結合ドナー/アクセプター

14 / 24

複雑度

2150

分類と用途

化学分類

医薬品 APIおよび中間体中間体

安全情報

危険性の表示

H302-H315-H319

同義語と参考文献

英語

ANIDULAFUNGIN [USAN]
UNII-9HLM53094I
Anidulafungina
DTXSID50873201
J02AX06
NCGC00386349-01
Anidulafungin (LY303366)
N-[[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-tetrahydroxy-bis[(1R)-1-hydroxyethyl]-methyl-hexaoxo-[?]yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide
BDBM50417554
LY-303366
Anidulafungin
ANIDULAFUNGIN [MART.]
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0,9,13]heptacosan-18-yl]-4'-[4-(pentyloxy)phenyl]-[1,1'-biphenyl]-4-carboxamide
Anidulafunginum
ANIDULAFUNGIN [WHO-DD]
DB00362
ANIDULAFUNGIN [VANDF]
VER-002
ANIDULAFUNGIN (MART.)
Anidulafungin [USAN:INN:BAN]
SW222238-1
LY303366
166663-25-8
Ecalta
D-70013
CS-1824
Q4764531
VER002
Anidulafungine
Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-[[4''-(pentyloxy)[1,1':4',1''-terphenyl]-4-yl]carbonyl]-L-ornithine]-
ECHINOCANDIN B, 1-((4R,5R)-4,5-DIHYDROXY-N(SUP 2)-((4''-(PENTYLOXY)(1,1':4',1''-TERPHENYL)-4-YL)CARBONYL)-L-ORNITHINE)-
CHEMBL264241
s4286
CCG-270647
ANIDULAFUNGIN [MI]
1-((4R,5R)-4,5-Dihydroxy-N2-((4''-(pentyloxy)(1,1':4',1''-terphenyl)-4-yl)carbonyl)-L-ornithine)-echinocandin B
J-010304
Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N2-((4''-(pentyloxy)(1,1':4',1''-terphenyl)-4-yl)carbonyl)-L-ornithine)
(4R,5R)-4,5-DIHYDROXY-N(SUP 2)-((4''-(PENTYLOXY)-P-TERPHENYL-4-YL)CARBONYL)-L-ORNITHYL-L-THREONYL-TRANS-4-HYDROXY-L-PROLYL-(S)-4-HYDROXY-4-(P-HYDROXYPHENYL)-L-THREONYL-L-THREONYL-(3S,4S)-3-HYDROXY-4-METHYL-L-PROLINE CYCLIC (6->1)-PEPTIDE
ANIDULAFUNGIN [EMA EPAR]
D70013
N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4''-(pentyloxy)-1,1':4',1''-terphenyl-4-carboxamide
DTXCID90820698
CHEBI:55346
ANIDULAFUNGIN [ORANGE BOOK]
(4R,5R)-4,5-Dihydroxy-N(sup 2)-((4'-(pentyloxy)-p-terphenyl-4-yl)carbonyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline cyclic (6-1)-peptide
ANIDULAFUNGIN [INN]
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-4-{4-[4-(pentyloxy)phenyl]phenyl}benzamide
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide
N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((1R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo(2,1-c:2',1'-l)(1,4,7,10,13,16)hexaazacyclohenicosin-9-yl)-4''-(pentyloxy)-1,1':4',1''-terphenyl-4-carboxamide
9HLM53094I
V-Echinocandin
AKOS030526640
MFCD00917070
EN300-19769052
Eraxis
SCHEMBL38292
HY-13553
NS00007722
C58H73N7O17
1-[(4R,5R)-4,5-Dihydroxy-N2-[[4′′-(pentyloxy)[1,1′:4′,1′′-terphenyl]-4-yl]carbonyl]-L-ornithine]echinocandin B
LY 303366, Eraxis
Anidulafungin(LY303366)
Echinocandin B, 1-(4R,5R)-4,5-dihydroxy-N2-4-(pentyloxy)1,1:4,1-terphenyl-4-ylcarbonyl-L-ornithine-
1-[(4R,5R)-4,5-dihydroxy-N2-[[4''-(pentyloxy)[1,1'',1''-terphenyl]-4-yl]carbonyl]-L-ornithine]-echinocandin B
LY 303366
Anidulafungin [USAN:INN]
Anidulafungin [USAN:INN
N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-4''-(pentyloxy)-[1,1':4',1''-terphenyl]-4-carboxamide

MDL_Number

MFCD00917070

CAS番号

166663-25-8

サプライヤー情報

サプライヤー名	会員レベル	認証状況	主要カテゴリー	最小注文数量	アクション
中国 - Hubei Weideli Chemical Reagent Co., Ltd.
中国 - Beijing Solabe Technology Co., Ltd.
中国 - Shanghai Ruhui Chemical Technology Co., Ltd.
中国 - Hubei Rike Chemical Co., Ltd.
中国 - Shanghai Luofa Biochemical Technology Co., Ltd.
中国 - Yiming Biotechnology (Shanghai) Co., Ltd
中国 - Taizhou Kede Chemical Industry Co., Ltd.
中国 - Hubei Nona Technology Co., Ltd.