Cas no 79411-15-7 (Echinocandin B)

Echinocandin B is a lipopeptide antifungal agent belonging to the echinocandin class, derived from the fungus Aspergillus nidulans. It exhibits potent activity against Candida and Aspergillus species by non-competitively inhibiting β-(1,3)-D-glucan synthase, a critical enzyme for fungal cell wall synthesis. Its mechanism of action ensures minimal cross-resistance with other antifungal classes, making it a valuable candidate for treating invasive fungal infections. Echinocandin B serves as a precursor for semisynthetic derivatives like caspofungin, which are clinically utilized due to enhanced stability and efficacy. Its broad-spectrum antifungal properties and targeted mode of action underscore its significance in antifungal research and development.
Echinocandin B structure
Echinocandin B structure
Product Name:Echinocandin B
CAS No:79411-15-7
MF:C34H51N7O15
MW:797.806649446487
MDL:MFCD01939342
CID:60084
PubChem ID:12760595
Update Time:2025-05-27

Echinocandin B Chemical and Physical Properties

Names and Identifiers

    • 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
    • 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
    • DTXSID40509209
    • Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-L-ornithine]-
    • AM032999;AN-36548;PL011811
    • 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
    • CID 12760595
    • 79411-15-7
    • AC-6111
    • AKOS015899653
    • 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B (ACI)
    • 1H-Dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacycloheneicosine, cyclic peptide deriv. (ZCI)
    • BLKJKIJFNJAQIZ-UHFFFAOYSA-N
    • 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B
    • MDL： MFCD01939342
    • 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)/t12-,13+,14+,17+,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,30+/m0/s1
    • InChI Key： BLKJKIJFNJAQIZ-UMDMRRTDSA-N
    • SMILES： O=C1[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)[C@H](C2C=CC(O)=CC=2)O)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](N)C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@H]([C@H](CN12)C)O)O

Computed Properties

  • Exact Mass: 797.34400
  • Monoisotopic Mass: 797.344
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 14
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 5
  • Complexity: 1450
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 365A^2
  • XLogP3: -4.6

Experimental Properties

  • Density: 1.60
  • Boiling Point: 1330.8°C at 760 mmHg
  • Flash Point: 758.6°C
  • Refractive Index: 1.689
  • PSA: 379.07000
  • LogP: -5.62170

Echinocandin B Security Information

  • Storage Condition：(BD764478)

Echinocandin B Pricemore >>

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Echinocandin B Production Method

Production Method 1

Reaction Conditions
Reference
Synthesis and antifungal evaluation of pentyloxyl-diphenylisoxazoloyl pneumocandins and echinocandins
Singh, Sheo B.; Herath, Kithsiri; Kahn, Jennifer Nielsen; Mann, Paul; Abruzzo, George; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(11), 3253-3256

Production Method 2

Reaction Conditions
1.1 Reagents: Dimethyl sulfoxide Catalysts: Echinocandin B deacylase Solvents: Ethanol ,  Water ;  5 h, pH 6.8, 30 °C
1.2 Reagents: Methanol
Reference
Efficient bioconversion of echinocandin B to its nucleus by overexpression of deacylase genes in different host strains
Shao, Lei; Li, Jian; Liu, Aijuan; Chang, Qing; Lin, Huimin; et al, Applied and Environmental Microbiology, 2013, 79(4), 1126-1133

Production Method 3

Reaction Conditions
1.1 Solvents: Methanol ,  Water ;  72 h, pH 6.5, 30 °C
Reference
Optimization of microbial transformation process of echinocandin B
Yin, Tengfei; Chen, Shaoxin, Zhongguo Yiyao Gongye Zazhi, 2012, 43(5), 333-336

Echinocandin B Raw materials

Echinocandin B Preparation Products

Echinocandin B Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:79411-15-7)ECHINOCANDIN B
Order Number:sfd2481
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

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Suzhou Senfeida Chemical Co., Ltd
(CAS:79411-15-7)ECHINOCANDIN B
sfd2481
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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