1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride | CAS No. 1029890-89-8

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

Basic Information

CAS Number

1029890-89-8

Molecular Formula

C34H52ClN7O15

Molecular Weight

834.28 g/mol

AD

Basic Physical Properties

Oc1ccc(cc1)[C@@H]([C@H](C1NC(=O)[C@@H]2C[C@H](CN2C(=O)C(NC(=O)[C@@H](N)C[C@H]([C@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)[C@H](O)C)C[C@@H]([C@@H]2O)C)O)O)[C@H](O)C)O)O)O.Cl

InChI

InChI=1S/C34H51N7O15.ClH/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);1H/t12-,13+,14+,17+,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,30+;/m0./s1

InChIKey

FKIXKMLIKIOEJP-WJXYPMDHSA-N

LogP

-6.8796000000000035

Topological Polar Surface Area

365.11000000000007 Ų

Hydrogen Bond Donor/Acceptor

15 / 22

Complexity

1450

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • ECBN
  • ECBN HCL
  • Echinocandin B nucleus hydrochloride
  • 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride
  • 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride (1
  • 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride (1:1)
  • (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((R)-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)-hexaone
  • hydrochloride (1:1)

FAQ

What are the physical and chemical properties of 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride (CAS: 1029890-89-8)?

1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride is a crystalline compound with a molecular weight of approximately 1027.14 g/mol. It has a solubility of 0.1 g/100 mL in water and is slightly soluble in organic solvents. This compound is moderately reactive with bases and acidic conditions. It is stable under normal storage conditions but should be protected from moisture and light.

How is 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride (CAS: 1029890-89-8) typically synthesized?

1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride is synthesized through a multi-step process involving the condensation of ornithine derivatives with echinocandin intermediates. The synthesis typically uses catalytic amounts of a Lewis acid, such as titanium(IV) isopropoxide, and achieves a yield of around 70%. The reaction is highly selective and proceeds with good regioselectivity.

What industries use 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride (CAS: 1029890-89-8)?

1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride is primarily used in the pharmaceutical industry for the development of antifungal drugs. It also finds applications in the research of new antifungal agents and as a reference compound in academic studies. Its unique chemical properties make it a valuable reagent in the study of carbohydrate chemistry and molecular biology.

What precautions should be taken when handling 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride (CAS: 1029890-89-8)?

When handling 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work must be conducted in a well-ventilated area or a fume hood to avoid inhalation of the compound. Spills should be handled with caution using absorbent materials and a spill kit. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

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