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Cinobufotalin

Cinobufotalin structure

CAS No:
1108-68-5
Formula:
C26H34O7
Chemical Name:
Cinobufotalin
Synonyms:
Bufa-20,22-dienolide,16-(acetyloxy)-14,15-epoxy-3,5-dihydroxy-,(3β,5β,15β,16β)-;5β-Bufa-20,22-dienolide,14,15β-epoxy-3β,5,16β-trihydroxy-,16-acetate;Cinobufotalin;14,15-Epoxy-14H-cyclopenta[a]phenanthrene,bufa-20,22-dienolide deriv.;(3β,5β,15β,16β)-16-(Acetyloxy)-14,15-epoxy-3,5-dihydroxybufa-20,22-dienolide;NSC 90326
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

Description

Cinobufotalin is one of the bufadienolides prepared from toad venom; has anticancer activity.IC50 value:Target:in vitro: Cinobufotalin(CB) caused significant DNA fragmentation, decrease of MMP, and an increase in the intracellular Ca(2+) ion and ROS production. In addition, CB induced upregulation of Fas protein, proteolytic activation of cytochrome c, caspase-2, -3, -8 and -9 together with the activation of Bid and Bax [1]. cinobufotalin displayed considerable cytotoxicity against lung

Cinobufotalin is a steroid lactone. It derives from a bufanolide.

Cinobufotalin Basic Attributes

Molecular Weight：

458.54

Exact Mass：

458.54

Characteristics

PSA：

109.50000

XLogP3：

0.79

Density：

1.34±0.1 g/cm3(Predicted)

Melting Point：

260.5 °C

Boiling Point：

627.3±55.0 °C(Predicted)

Flash Point：

210.7±25.0 °C

Refractive Index：

1.612

Storage Conditions：

2-8°C

Vapor Pressure：

2.28E-18mmHg at 25°C

Specific rotation：

D20 +11°

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2811 6.1/PG 1

wgk germany：

hazard class code：

26/27/28

safety instructions：

22-36/37/39-45

RTECS Number：

EI2991000

Marks：

T+

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P260-P264-P280-P284-P302 + P350-P310

Hazard Statements：

H300-H310-H330

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:458.5
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:458.23045342
Monoisotopic Mass:458.23045342
Topological Polar Surface Area:106
Heavy Atom Count:33
Complexity:972
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1108-68-5

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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CAS No.: 1108-68-5

Grade: Pharmaceutical Grade

Content: 99%

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