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Bufalin

Bufalin structure

CAS No:
465-21-4
Formula:
C24H34O4
Chemical Name:
Bufalin
Synonyms:
Bufa-20,22-dienolide,3,14-dihydroxy-,(3β,5β)-;Bufalin;5β-Bufa-20,22-dienolide,3β,14-dihydroxy-;(3β,5β)-3,14-Dihydroxybufa-20,22-dienolide;NSC 89595;B 0261;2381-02-4
Categories:
Biochemical Engineering > Chinese Herbs

Description

Bufalin a major digoxin-like immunoreactive component of the Chinese medicine Chan Su; has been shown to exert a potential for anticancer activity against various human cancer cell lines in vitro.IC50 value:Target: Anticaner natural compoundin vitro: bufalin remarkably inhibited growth in human gallbladder cancer cells by decreasing cell proliferation, inducing cell cycle arrest and apoptosis in a dose-dependent manner. Bufalin also disrupted the mitochondrial membrane potential (ΔΨm) an

5-(3,14-Dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one is a steroid lactone. It derives from a bufanolide.

Bufalin Basic Attributes

Molecular Weight：

386.52

Exact Mass：

386.52

NSC Number：

89595|248518

HScode：

29322090

Characteristics

PSA：

66.8

XLogP3：

4.24190

Appearance：

White solid.

Density：

1.2±0.1 g/cm3

Melting Point：

242.5 °C

Boiling Point：

556.6°C at 760 mmHg

Flash Point：

189.0±23.6 °C

Refractive Index：

1.594

Storage Conditions：

2-8°C

Toxicity：

Peritoneal-mouse LD50: 2.2 mg/kg

Flammability characteristics：

Flammable, spicy and irritating smoke emitted from the fire

Specific rotation：

D -20°

Safety Information

Packing level：

Ⅱ

Hazard category：

6.1(a)

Transport codes：

UN 3462 6.1/PG 2

wgk germany：

hazard class code：

safety instructions：

28-36/37-45

RTECS Number：

EI2962500

Marks：

T+

Storage features：

Treasury is low temperature, ventilated, dry; stored separately from food raw materials

Stability/Shelf Life：

Stable for a year if stored as directed.

Precautionary statement(s)：

P264-P301 + P310

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

Toxicity

Toxicity class：

most toxic

Bufalin Use and Manufacturing

A bufadienolide derivative, cardiac steroid, a component of bufadienolides present in the traditional Chinese medicine Chan'su, used therapeutically for the treatment of heart disease, also has been reported as a protective factor in many tumors.

Computed Properties

Molecular Weight:386.5
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:386.24570956
Monoisotopic Mass:386.24570956
Topological Polar Surface Area:66.8
Heavy Atom Count:28
Complexity:741
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Bufalin

CAS No.: 465-21-4

Content: 99.00%

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Guide of Bufalin

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
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Bufalin

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