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Bruceine A

Bruceine A structure

CAS No:
25514-31-2
Formula:
C26H34O11
Chemical Name:
Bruceine A
Synonyms:
Picras-3-en-21-oic acid,13,20-epoxy-3,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-,methyl ester,(11β,12α,15β)-;2H-3,11cβ-(Epoxymethano)phenanthro[10,1-bc]pyran-3α(1H)-carboxylic acid,3a,4,5,6aβ,7,7aα,10,11,11a,11bα-decahydro-1β,2α,4β,9-tetrahydroxy-8,11aβ-dimethyl-5,10-dioxo-,methyl ester,4-isovalerate;Bruceine A;Dihydrobrusatol;NSC 310616;14908-00-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Bruceine A(NSC310616; Dihydrobrusatol) is a natural quassinoid compound extracted from the dried fruits of Brucea javanica (L.); are potential candidates for the treatment of canine babesiosis.IC50 value:Target: Bruceine A inhibited the in vitro growth of Babesia gibsoni in canine erythrocytes at lower concentration compared with the standard antibabesial drug diminazene aceturate and killed the parasites within 24 hr at a concentration of 25 nM. Oral administration of bruceine A at a do

Bruceine A Basic Attributes

Molecular Weight：

522.547

Exact Mass：

522.54

NSC Number：

310616

Characteristics

PSA：

166

XLogP3：

1.80

Density：

1.4±0.1 g/cm3

Boiling Point：

712.6±60.0 °C at 760 mmHg

Flash Point：

237.1±26.4 °C

Refractive Index：

1.596

Drug Information

MeSH Entry Terms：

bruceine A

Computed Properties

Molecular Weight:522.5
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:522.21011190
Monoisotopic Mass:522.21011190
Topological Polar Surface Area:166
Heavy Atom Count:37
Complexity:1100
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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