CAS 37248-47-8|Validamycin

Introduction：Basic information about CAS 37248-47-8|Validamycin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Validamycin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Synonyms

Common Name	Validamycin
CAS Number	37248-47-8	Molecular Weight	497.491
Density	1.7±0.1 g/cm3	Boiling Point	813.7±65.0 °C at 760 mmHg
Molecular Formula	C₂₀H₃₅NO₁₃	Melting Point	130-135ºC
MSDS	/	Flash Point	445.9±34.3 °C

Names

Name	validamycin A
Synonym	More Synonyms

Validamycin BiologicalActivity

Description	Validamycin A is an aminoglycoside agricultural antibiotic. Validamycin A inhibits the growth of A. flavus, with a MIC of 1 μg/mL[1]. Validamycin A is a reversible tyrosinase inhibitor, with a Ki of 5.893 mM[2].
Related Catalog	Research Areas >>InfectionSignaling Pathways >>Anti-infection >>FungalSignaling Pathways >>Metabolic Enzyme/Protease >>Tyrosinase
Target	Ki: 5.893 mM (tyrosinase)[2]
In Vitro	Validamycin A (0.5-1 μg/mL; 18 hours) inhibits the growth of A. flavus and delayed conidial germination[1]. Validamycin A shows no cytotoxicity to human bronchial epithelial cells[1]. Validamycin A binds directly to several residues in the active site of tyrosinase, including HIS85, HIS244, GLU256, HIS259 and ASN260[1]. Cell Proliferation Assay[1] Cell Line: Aspergillus flavus ATCC204304 Concentration: 0.5 μg/mL, 1 μg/mL Incubation Time: 18 hours Result: Inhibited the growth of Aspergillus flavus.
References	[1]. Napasawan Plabutong, et al. The Inhibitory Effect of Validamycin A on Aspergillus flavus. Int J Microbiol. 2020; 2020: 3972415. [2]. Zhi-Jiang Wang, et al. The effect of validamycin A on tyrosinase: inhibition kinetics and computational simulation. Int J Biol Macromol. 2013 Apr;55:15-23.

Chemical & Physical Properties

Density	1.7±0.1 g/cm3
Boiling Point	813.7±65.0 °C at 760 mmHg
Melting Point	130-135ºC
Molecular Formula	C₂₀H₃₅NO₁₃
Molecular Weight	497.491
Flash Point	445.9±34.3 °C
Exact Mass	497.210846
PSA	253.02000
LogP	-5.43
Vapour Pressure	0.0±6.6 mmHg at 25°C
Index of Refraction	1.689
InChIKey	JARYYMUOCXVXNK-CSLFJTBJSA-N
SMILES	OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NM7540000

CHEMICAL NAME :: D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxyme thyl)-1-((4,5,6- trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino) -, (1S-(1-alpha,4-alpha,5-beta, 6-alpha))-

CAS REGISTRY NUMBER :: 37248-47-8

LAST UPDATED :: 199606

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C20-H35-N-O13

MOLECULAR WEIGHT :: 497.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >20 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (15),28,1973

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/m3

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S29,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (40),32,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (47),17,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >15 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (47),17,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (47),17,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 1,229,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 13 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (47),17,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >15 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (47),17,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >13 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (15),28,1973

Safety Information

Hazard Codes	T+

Synonyms

valimon

Validamycin A

validamycin

Validamycin

Jinganmycin A

SOLACOL

MYCIN

VALIDAMYCIN A

VALDIDAMYCIN

VALIDACIN

1,5,6-trideoxy-4-O-β-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol

validomycin A

jiangonmycin

(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-hydroxymethyl-4-[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino]cyclohexyl β-D-glucopyranoside

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