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Oligomycin B

Oligomycin B structure

CAS No:
11050-94-5
Formula:
C45H72O12
Chemical Name:
Oligomycin B
Synonyms:
Spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2′-[2H]pyran]-3,3′,9,13(4′H)-tetrone,22-ethyl-5′,6′-dihydro-7,11,14,15-tetrahydroxy-6′-[(2R)-2-hydroxypropyl]-5′,6,8,10,12,14,16,28,29-nonamethyl-,(1R,2′S,4E,5′S,6S,6′S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,28S,29R)-;Oligomycin B;Oligomycin A,28-oxo-;(1R,2′S,4E,5′S,6S,6′S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,28S,29R)-22-Ethyl-5′,6′-dihydro-7,11,14,15-tetrahydroxy-6′-[(2R)-2-hydroxypropyl]-5′,6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2′-[2H]pyran]-3,3′,9,13(4′H)-tetrone;Spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2′-[2H]pyran]-3,3′,9,13(4′H)-tetrone,22-ethyl-5′,6′-dihydro-7,11,14,15-tetrahydroxy-6′-(2-hydroxypropyl)-5′,6,8,10,12,14,16,28,29-nonamethyl-,[1R-[1R*,4E,5′S*,6S*,6′S*(R*),7R*,8S*,10R*,11R*,12S*,14R*,15S*,16R*,18E,20E,22R*,25S*,27S*,28S*,29R*]]-;12727-45-6;58151-48-7
Categories:
Active Pharmaceutical Ingredients > Antibiotics

Description

Oligomycin B is an antibiotic isolated from marine Streptomyces, used as an eukaryotic ATP synthase inhibitor, induces apoptosis[1][2].

Oligomycin B Basic Attributes

Molecular Weight：

805.05

Exact Mass：

805.05

EC Number：

234-275-5

HScode：

29419090

Characteristics

PSA：

197.12000

XLogP3：

5.50

Density：

1.19 g/cm³

Melting Point：

160-161 °C

Boiling Point：

911.4±65.0 °C(Predicted)

Flash Point：

260.3±27.8 °C

Refractive Index：

1.547

Storage Conditions：

−20°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

20/21/22-68/20/21/22-22

safety instructions：

36/37

RTECS Number：

RK3330000

Marks：

Xn,T

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

oligomycin B

Oligomycin B Use and Manufacturing

Oligomycin B, a minor component of the oligomycin complex isolated from selected strains of Streptomyces, is an inhibitor of mitochondrial F1F0-ATPase. It makes cells more susceptible to cell death, and also leads to a switch in the death mode from apoptosis to necrosis.

Computed Properties

Molecular Weight:805.0
XLogP3:6.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:3
Exact Mass:804.50237773
Monoisotopic Mass:804.50237773
Topological Polar Surface Area:197
Heavy Atom Count:57
Complexity:1470
Defined Atom Stereocenter Count:18
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes