CAS 1476-53-5|Novobiocin Sodium Salt

Introduction：Basic information about CAS 1476-53-5|Novobiocin Sodium Salt, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Novobiocin Sodium Salt BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Articles37
7. Synonyms

Common Name	Novobiocin Sodium Salt
CAS Number	1476-53-5	Molecular Weight	634.60600
Density	1.42g/cm3	Boiling Point	848.2ºC at 760mmHg
Molecular Formula	C₃₁H₃₅N₂NaO₁₁	Melting Point	215-220ºC
MSDS	ChineseUSA	Flash Point	466.8ºC
Symbol	GHS07	Signal Word	Warning

Names

Name	Novobiocin Sodium Salt
Synonym	More Synonyms

Novobiocin Sodium Salt BiologicalActivity

Description	Novobiocin Sodium is an antibiotic compound derived from Streptomyces niveus.Target: AntibacterialNovobiocin, also known as albamycin or cathomycin, is an aminocoumarin antibiotic that is produced by the actinomycete Streptomyces niveus, which has recently been identified as a subjective synonym for S. spheroides a member of the order Actinobacteria . Other aminocoumarin antibiotics include clorobiocin and coumermycin A1. The molecular basis of action of novobiocin, and other related drugs clorobiocin and coumermycin A1 has been examined. Aminocoumarins are very potent inhibitors of bacterial DNA gyrase and work by targeting the GyrB subunit of the enzyme involved in energy transduction. Novobiocin as well as the other aminocoumarin antibiotics act as competitive inhibitors of the ATPase reaction catalysed by GyrB. The potency of novobiocin is considerably higher than that of the fluoroquinolones that also target DNA gyrase, but at a different site on the enzyme. The GyrA subunit is involved in the DNA nicking and ligation activity [1-4].
Related Catalog	Signaling Pathways >>Autophagy >>AutophagySignaling Pathways >>Anti-infection >>BacterialNatural Products >>OthersResearch Areas >>Infection
References	[1]. http://www.ncbi.nlm.nih.gov/pubmed/8231802 [2]. Maxwell, A., DNA gyrase as a drug target. Biochem Soc Trans, 1999. 27(2): p. 48-53. [3]. Lewis, R.J., F.T. Tsai, and D.B. Wigley, Molecular mechanisms of drug inhibition of DNA gyrase. Bioessays, 1996. 18(8): p. 661-71. [4]. Maxwell, A. and D.M. Lawson, The ATP-binding site of type II topoisomerases as a target for antibacterial drugs. Curr Top Med Chem, 2003. 3(3): p. 283-303.

Description

Novobiocin Sodium is an antibiotic compound derived from Streptomyces niveus.Target: AntibacterialNovobiocin, also known as albamycin or cathomycin, is an aminocoumarin antibiotic that is produced by the actinomycete Streptomyces niveus, which has recently been identified as a subjective synonym for S. spheroides a member of the order Actinobacteria . Other aminocoumarin antibiotics include clorobiocin and coumermycin A1. The molecular basis of action of novobiocin, and other related drugs clorobiocin and coumermycin A1 has been examined. Aminocoumarins are very potent inhibitors of bacterial DNA gyrase and work by targeting the GyrB subunit of the enzyme involved in energy transduction. Novobiocin as well as the other aminocoumarin antibiotics act as competitive inhibitors of the ATPase reaction catalysed by GyrB. The potency of novobiocin is considerably higher than that of the fluoroquinolones that also target DNA gyrase, but at a different site on the enzyme. The GyrA subunit is involved in the DNA nicking and ligation activity [1-4].

Related Catalog

Signaling Pathways >>Autophagy >>AutophagySignaling Pathways >>Anti-infection >>BacterialNatural Products >>OthersResearch Areas >>Infection

References

[1]. http://www.ncbi.nlm.nih.gov/pubmed/8231802

[2]. Maxwell, A., DNA gyrase as a drug target. Biochem Soc Trans, 1999. 27(2): p. 48-53.

[3]. Lewis, R.J., F.T. Tsai, and D.B. Wigley, Molecular mechanisms of drug inhibition of DNA gyrase. Bioessays, 1996. 18(8): p. 661-71.

[4]. Maxwell, A. and D.M. Lawson, The ATP-binding site of type II topoisomerases as a target for antibacterial drugs. Curr Top Med Chem, 2003. 3(3): p. 283-303.

Chemical & Physical Properties

Density	1.42g/cm3
Boiling Point	848.2ºC at 760mmHg
Melting Point	215-220ºC
Molecular Formula	C₃₁H₃₅N₂NaO₁₁
Molecular Weight	634.60600
Flash Point	466.8ºC
Exact Mass	634.21400
PSA	202.84000
LogP	4.83860
InChIKey	YJQPYGGHQPGBLI-TXGFFYAOSA-N
SMILES	COC1C(OC(N)=O)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Storage condition	-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RD5425000

CHEMICAL NAME :: Novobiocin, monosodium salt

CAS REGISTRY NUMBER :: 1476-53-5

LAST UPDATED :: 199512

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C31-H35-N2-O11.Na

MOLECULAR WEIGHT :: 634.67

WISWESSER LINE NOTATION :: T66 BOVJ DMVR DQ C2UY1&1& EQ IO- FT6OTJ B1 B1 CO1 DVZ EQ FO1 &-NA-

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 :: 3500 mg/kg

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

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 450 mg/kg

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

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 385 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 962 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 262 mg/kg

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

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 395 mg/kg

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

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 407 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 12 mg/kg

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

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 28 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 3920 mg/kg/70D-I

TOXIC EFFECTS :: Skin and Appendages - dermatitis, other (after systemic exposure)

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Rodent - rat Cells - not otherwise specified

DOSE/DURATION :: 1 gm/L

REFERENCE :: ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 60,287,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1522 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 88 (estimated) No. of Female Employees: 73 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H317-H319
Precautionary Statements	P280-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xi: Irritant;
Risk Phrases	R43
Safety Phrases	S26;S36/S37
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	RD5425000

Articles37

Light scattering sensor for direct identification of colonies of Escherichia coli serogroups O26, O45, O103, O111, O121, O145 and O157.

PLoS ONE 9(8) , e105272, (2014)

Shiga-toxin producing Escherichia coli (STEC) have emerged as important foodborne pathogens, among which seven serogroups (O26, O45, O103, O111, O121, O145, O157) are most frequently implicated in hum...

Mechanistic insights into Mg2+-independent prenylation by CloQ from classical molecular mechanics and hybrid quantum mechanics/molecular mechanics molecular dynamics simulations.

Biochemistry 53(30) , 5034-41, (2014)

Understanding the mechanism of prenyltransferases is important to the design of engineered proteins capable of synthesizing derivatives of naturally occurring therapeutic agents. CloQ is a Mg(2+)-inde...

Evaluation of the usefulness of breast cancer resistance protein (BCRP) knockout mice and BCRP inhibitor-treated monkeys to estimate the clinical impact of BCRP modulation on the pharmacokinetics of BCRP substrates.

Pharm. Res. 32(5) , 1634-47, (2015)

To evaluate whether the impact of functional modulation of the breast cancer resistance protein (BCRP, ABCG2 421C>A) on human pharmacokinetics after oral administration is predictable using Bcrp knock...

Synonyms

MFCD00066541

NOVOBIOCIN SODIUM SALT

Novobiocin sodium

EINECS 216-023-6

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