CAS 1029890-89-8|1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride (1:1)

Introduction：Basic information about CAS 1029890-89-8|1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride (1:1), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride (1:1)
CAS Number	1029890-89-8	Molecular Weight	834.268
Density	/	Boiling Point	/
Molecular Formula	C₃₄H₅₂ClN₇O₁₅	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-Amino-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexone hydrochloride (1:1)
Synonym	More Synonyms

BiologicalActivity

Description	A-30912A nucleus hydrochloride is the product of the reaction catalyzed by Echinocandin B (ECB) deacylase[1].
Related Catalog	Research Areas >>InfectionSignaling Pathways >>Others >>Others
In Vitro	Echinocandin B (ECB), obtained by the fermentation of Aspergillus nidulans and Aspergillus rugulosus, is known as one of the natural cyclic hexapeptides that have a linoleoyl side chain, which inhibits a crucial enzyme in fungal cell wall biosynthesis, β-(1,3)-D-glucan synthase[1].
References	[1]. Lei Shao, et al. Efficient bioconversion of echinocandin B to its nucleus by overexpression of deacylase genes in different host strains. Appl Environ Microbiol. 2013 Feb;79(4):1126-33.

Chemical & Physical Properties

Molecular Formula	C₃₄H₅₂ClN₇O₁₅
Molecular Weight	834.268
Exact Mass	833.320984
InChIKey	FKIXKMLIKIOEJP-WJXYPMDHSA-N
SMILES	CC(O)C1NC(=O)C(N)CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(C)O)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C1=O.Cl

Safety Information

Hazard Codes	Xi

Synonyms

(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-Amino-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexone hydrochloride (1:1)

1H-Dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-5,8,14,19,22,25(9H,25aH)-hexone, 9-amino-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]hexadecahydro-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-, (2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-, hydrochloride (1:1)

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