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168110-44-9

168110-44-9

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  • 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-4-{(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)-phenyl]-L-threonine}-pneumocandin A0

    Cas No: 168110-44-9

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168110-44-9 Usage

Description

Micafungin FR-179642 impurity (acid) is a byproduct derived from the synthesis of Micafungin (M342350), a potent lipopeptide antifungal agent. It possesses structural similarities to the parent compound, which grants it potential applications in various fields due to its inherent properties.

Uses

Used in Pharmaceutical Industry:
Micafungin FR-179642 impurity (acid) is used as a research compound for understanding the structure-activity relationship of Micafungin. This knowledge aids in the development of more effective antifungal agents and the optimization of Micafungin's therapeutic properties.
Additionally, it can be utilized as an analytical standard for the quality control and assessment of Micafungin in pharmaceutical formulations, ensuring the purity and efficacy of the final product.
Used in Antifungal Research:
Micafungin FR-179642 impurity (acid) serves as a valuable tool in the study of antifungal resistance mechanisms and the development of novel strategies to combat drug-resistant fungal infections. Its structural resemblance to Micafungin allows researchers to investigate the molecular interactions and resistance patterns in Aspergillus and Candida species.
Used in Drug Delivery Systems:
Similar to Gallotannin, Micafungin FR-179642 impurity (acid) can be explored for its potential applications in drug delivery systems. By leveraging its structural properties, researchers may develop innovative carriers and formulations to improve the bioavailability, targeting, and overall effectiveness of antifungal treatments.

Check Digit Verification of cas no

The CAS Registry Mumber 168110-44-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,8,1,1 and 0 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 168110-44:
(8*1)+(7*6)+(6*8)+(5*1)+(4*1)+(3*0)+(2*4)+(1*4)=119
119 % 10 = 9
So 168110-44-9 is a valid CAS Registry Number.

168110-44-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name FR179642

1.2 Other means of identification

Product number -
Other names Micafungin FR-179642

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:168110-44-9 SDS

168110-44-9Synthetic route

FR 179642
168110-44-9

FR 179642

N-ethyl-N,N-diisopropylamine
7087-68-5

N-ethyl-N,N-diisopropylamine

1-[[4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoyl]oxy]-1H-1,2,3-benzotriazole
235112-66-0

1-[[4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoyl]oxy]-1H-1,2,3-benzotriazole

micafungin DIPEA salt

micafungin DIPEA salt

Conditions
ConditionsYield
In N,N-dimethyl-formamide at -3℃; for 4.5h;92%
FR 179642
168110-44-9

FR 179642

C27H24N4O3S
1092677-22-9

C27H24N4O3S

C56H71N9O22S2
1037032-26-0

C56H71N9O22S2

Conditions
ConditionsYield
With dmap In N,N-dimethyl-formamide77%
FR 179642
168110-44-9

FR 179642

C27H25N5O3S
1092678-72-2

C27H25N5O3S

C56H72N10O22S2
752969-87-2

C56H72N10O22S2

Conditions
ConditionsYield
With dmap In N,N-dimethyl-formamide77%
FR 179642
168110-44-9

FR 179642

C30H34N4O3
208537-97-7

C30H34N4O3

C59H81N9O22S
1037032-25-9

C59H81N9O22S

Conditions
ConditionsYield
With dmap In N,N-dimethyl-formamide76%
FR 179642
168110-44-9

FR 179642

C29H34N6O3
1092677-03-6

C29H34N6O3

C58H81N11O22S
1037032-24-8

C58H81N11O22S

Conditions
ConditionsYield
With dmap In N,N-dimethyl-formamide66%
FR 179642
168110-44-9

FR 179642

C26H29NO6
1426839-87-3

C26H29NO6

micafungin sodium

micafungin sodium

Conditions
ConditionsYield
Stage #1: FR 179642; C26H29NO6 With triethylamine In N,N-dimethyl-formamide at -10 - -5℃; for 0.666667h;
Stage #2: In methanol; water		66%
FR 179642
168110-44-9

FR 179642

C27H24N4O4
1092678-67-5

C27H24N4O4

C56H71N9O23S
1037032-27-1

C56H71N9O23S

Conditions
ConditionsYield
With dmap In N,N-dimethyl-formamide64%
FR 179642
168110-44-9

FR 179642

C29H33N5O3
208537-92-2

C29H33N5O3

C58H80N10O22S
793653-43-7

C58H80N10O22S

Conditions
ConditionsYield
With dmap In N,N-dimethyl-formamide61%
FR 179642
168110-44-9

FR 179642

N-ethyl-N,N-diisopropylamine
7087-68-5

N-ethyl-N,N-diisopropylamine

1-[[4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoyl]oxy]-1H-1,2,3-benzotriazole
235112-66-0

1-[[4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoyl]oxy]-1H-1,2,3-benzotriazole

C8H19N*C56H71N9O23S

C8H19N*C56H71N9O23S

Conditions
ConditionsYield
In DMF (N,N-dimethyl-formamide) at -8 - 20℃; for 2 - 4h;
FR 179642
168110-44-9

FR 179642

1-[[4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoyl]oxy]-1H-1,2,3-benzotriazole
235112-66-0

1-[[4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoyl]oxy]-1H-1,2,3-benzotriazole

micafungin

micafungin

Conditions
ConditionsYield
With dmap In N,N-dimethyl-formamide at 20℃;2.59 g
FR 179642
168110-44-9

FR 179642

C26H29NO6
1426839-87-3

C26H29NO6

triethylamine
121-44-8

triethylamine

{5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzene)amido]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid triethylamine salt
1426839-81-7

{5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzene)amido]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid triethylamine salt

Conditions
ConditionsYield
In N,N-dimethyl-formamide at -10 - -5℃; for 0.666667h;272 mg
FR 179642
168110-44-9

FR 179642

C26H29NO5
1426839-88-4

C26H29NO5

triethylamine
121-44-8

triethylamine

{5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzene)amido]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid triethylamine salt
1426839-81-7

{5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzene)amido]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid triethylamine salt

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 25h;194 mg
at 20℃; for 25h;
FR 179642
168110-44-9

FR 179642

C21H20ClNO3
1426839-89-5

C21H20ClNO3

micafungin

micafungin

Conditions
ConditionsYield
With pyridine In N,N-dimethyl-formamide at 0℃; for 0.5h; Inert atmosphere;229 mg
With pyridine In N,N-dimethyl-formamide at 0℃; for 0.5h; Inert atmosphere;
FR 179642
168110-44-9

FR 179642

C27H28N3O9P
1426839-86-2

C27H28N3O9P

micafungin

micafungin

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 0℃; for 2.5h; Inert atmosphere;316 mg
With triethylamine at 0℃; for 2.5h;
FR 179642
168110-44-9

FR 179642

2-chloro-4,6-dimethoxy-1 ,3,5-triazine
3140-73-6

2-chloro-4,6-dimethoxy-1 ,3,5-triazine

4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoic acid
179162-55-1

4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoic acid

micafungin

micafungin

Conditions
ConditionsYield
With 4-methyl-morpholine In N,N-dimethyl-formamide at 20℃; Temperature; Concentration; Inert atmosphere;
FR 179642
168110-44-9

FR 179642

C26H26N4O6

C26H26N4O6

micafungin

micafungin

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 5 - 25℃; Temperature; Concentration; Reagent/catalyst;
FR 179642
168110-44-9

FR 179642

C21H20ClNO3
1426839-89-5

C21H20ClNO3

micafungin sodium

micafungin sodium

Conditions
ConditionsYield
Stage #1: FR 179642; C21H20ClNO3 In dichloromethane at -43℃; for 8h;
Stage #2: With sodium carbonate In dichloromethane at 20℃; for 5h; Further stages;		17.7 g

168110-44-9Upstream product

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