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Cinobufotalin

CAS No.:
1108-68-5
Catalog Number:
AG0038Z7
Molecular Formula:
C26H34O7
Molecular Weight:
458.5440
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$207
- +
10mg
99%
1 week
United States
$307
- +
Product Description
Catalog Number:
AG0038Z7
Chemical Name:
Cinobufotalin
CAS Number:
1108-68-5
Molecular Formula:
C26H34O7
Molecular Weight:
458.5440
MDL Number:
MFCD28396383
IUPAC Name:
[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
InChI:
InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17-,18+,20-,21+,22+,23+,24+,25-,26+/m0/s1
InChI Key:
KBKUJJFDSHBPPA-ZNCGZLKOSA-N
SMILES:
O[C@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)OC(=O)C)C)C
UNII:
L0QBZ37386
NSC Number:
90326
Properties
Complexity:
972  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
458.23g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
458.551g/mol
Monoisotopic Mass:
458.23g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Apoptotic cell death by the novel natural compound, cinobufotalin. Chemico-biological interactions 20120930
Comparative metabolism of cinobufagin in liver microsomes from mouse, rat, dog, minipig, monkey, and human. Drug metabolism and disposition: the biological fate of chemicals 20110401
[Effect of cinobufotalin on growth of xenograft of endometrial carcinoma cell line ishikawa in nude mouse and its impact on RRM2 expression]. Zhongguo Zhong xi yi jie he za zhi Zhongguo Zhongxiyi jiehe zazhi = Chinese journal of integrated traditional and Western medicine 20101101
Preparative separation of four major bufadienolides from the Chinese traditional medicine, Chansu, using high-speed counter-current chromatography. Natural product communications 20100701
[Effect of cinobufagin on the expressions of bcl-2 mRNA and bax mRNA and the proliferation of lens epithelial cells]. Zhongguo Zhong xi yi jie he za zhi Zhongguo Zhongxiyi jiehe zazhi = Chinese journal of integrated traditional and Western medicine 20091001
Microbial transformation of cinobufagin by Syncephalastrum racemosum. Journal of natural products 20080701
[Effect of traditional Chinese medicine on quality of life and survival period in patients with progressive gastric cancer]. Zhongguo Zhong xi yi jie he za zhi Zhongguo Zhongxiyi jiehe zazhi = Chinese journal of integrated traditional and Western medicine 20080201
Isolation and structure of five new cancer cell growth inhibitory bufadienolides from the Chinese traditional drug Ch'an Su. Journal of natural products 20010901
Properties