Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-L-ornithine]-

Basic Information

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CAS Number

79411-15-7

Molecular Formula

C34H51N7O15

Molecular Weight

797.8 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.60

SMILES

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CC1CN2C(C1O)C(=O)NC(C(CC(C(=O)NC(C(=O)N3CC(CC3C(=O)NC(C(=O)NC(C2=O)C(C)O)C(C(C4=CC=C(C=C4)O)O)O)O)C(C)O)N)O)O

InChI

InChI=1S/C34H51N7O15/c1-12-10-41-24(25(12)47)32(54)39-30(52)20(46)9-18(35)28(50)36-21(13(2)42)33(55)40-11-17(45)8-19(40)29(51)38-23(31(53)37-22(14(3)43)34(41)56)27(49)26(48)15-4-6-16(44)7-5-15/h4-7,12-14,17-27,30,42-49,52H,8-11,35H2,1-3H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54)

InChIKey

BLKJKIJFNJAQIZ-UHFFFAOYSA-N

LogP

-5.62170

Complexity

1450

Synonyms & References

English

DTXSID40509209
AKOS015899653
AM032999;AN-36548;PL011811
Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-L-ornithine]-
CID 12760595
9-Amino-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(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
79411-15-7
AC-6111
18-Amino-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone
Echinocandin B
ECHINOCANDIN BENTERPRISE STANDARD
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-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]hexadecahydro-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-
9-Amino-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(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)
1H-Dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine,cyclic peptide deriv.
Antibiotic A-30912A nucleus

MDL Number

MFCD01939342

FAQ

What regulatory guidelines apply to Echinocandin B (CAS: 79411-15-7)?

Echinocandin B (CAS: 79411-15-7) is subject to several regulatory guidelines. Globally, it falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous chemicals. In the European Union, the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation applies, requiring manufacturers and importers to register substances and conduct risk assessments. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific requirements for the safe handling, transportation, and use of such compounds.

Are there alternatives to Echinocandin B (CAS: 79411-15-7) in synthesis?

Alternative reagents to Echinocandin B (CAS: 79411-15-7) are available in synthesis, including other echinocandins and related compounds. For instance, some synthetic routes employ L-ornithine or its analogs. These alternatives offer varying degrees of efficacy and can be chosen based on the specific requirements of the synthesis, such as yield, reaction conditions, and cost.

What is the market or research trend for Echinocandin B (CAS: 79411-15-7)?

The market for Echinocandin B (CAS: 79411-15-7) is driven by ongoing research in antifungal drug development. Recent trends indicate an increased focus on optimizing existing echinocandins and exploring new derivatives. Research efforts are also directed towards understanding the mechanism of action and potential side effects, as well as developing effective combination therapies to combat drug-resistant fungal infections.

How should waste containing Echinocandin B (CAS: 79411-15-7) be handled?

Waste containing Echinocandin B (CAS: 79411-15-7) should be managed according to regulatory guidelines. This includes proper collection, storage, and disposal. Waste liquid should be collected in appropriate containers and stored in a secure area until disposal. For safe incineration or professional waste disposal, consult a licensed hazardous waste management company. Ensure that all handling and disposal procedures comply with local, national, and international regulations to prevent environmental contamination and ensure worker safety.