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Bafilomycin A1

Bafilomycin A1 structure

CAS No:
88899-55-2
Formula:
C35H58O9
Chemical Name:
Bafilomycin A1
Synonyms:
Oxacyclohexadeca-3,5,11,13-tetraen-2-one,8-hydroxy-16-[(1S,2R,3S)-2-hydroxy-1-methyl-3-[(2R,4R,5S,6R)-tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyl-,(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-;Hygrolidin,21-O-de(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methyl-;Oxacyclohexadecane,hygrolidin deriv.;(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-Hydroxy-16-[(1S,2R,3S)-2-hydroxy-1-methyl-3-[(2R,4R,5S,6R)-tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one;Bafilomycin A1;Oxacyclohexadeca-3,5,11,13-tetraen-2-one,8-hydroxy-16-[2-hydroxy-1-methyl-3-[tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyl-,[7R-[3Z,5E,7R*,8S*,9S*,11E,13E,15S*,16R*[1S*,2R*,3S*(2R*,4R*,5S*,6R*)]]]-;(-)-Bafilomycin A1;NSC 381866
Categories:
Organic Chemistry > Lactones

Description

Bafilomycin A1, a macrolide antibiotic isolated from the Streptomyces species, is a specific inhibitor of vacuolar-type H+ ATPase.

Bafilomycin A1 Basic Attributes

Molecular Weight：

622.83

Exact Mass：

622.83

HScode：

29419090

Characteristics

PSA：

134.91000

XLogP3：

3.88

Appearance：

White to off-white Powder or Solid

Density：

1.1±0.1 g/cm3

Boiling Point：

770.1±60.0 °C at 760 mmHg

Flash Point：

87℃

Refractive Index：

1.535

Water Solubility：

Soluble in methanol, ethanol, acetone and chloroform. Insoluble in water.

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3172

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

RN9781000

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)|Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

MeSH Entry Terms：

bafilomycin A1

Bafilomycin A1 Use and Manufacturing

A macrolide antibiotic and potent and selective inhibitor of vacuolar-type (v-type) H+ ATPase

Computed Properties

Molecular Weight:622.8
XLogP3:6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:622.40808342
Monoisotopic Mass:622.40808342
Topological Polar Surface Area:135
Heavy Atom Count:44
Complexity:1060
Undefined Atom Stereocenter Count:12
Undefined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 88899-55-2

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