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arenobufagin

CAS No.:
464-74-4
Catalog Number:
AG00DB84
Molecular Formula:
C24H32O6
Molecular Weight:
416.5073
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$282
- +
10mg
99%
1 week
United States
$482
- +
Product Description
Catalog Number:
AG00DB84
Chemical Name:
arenobufagin
CAS Number:
464-74-4
Molecular Formula:
C24H32O6
Molecular Weight:
416.5073
MDL Number:
MFCD01740820
IUPAC Name:
5-[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
InChI:
InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,22+,23+,24+/m1/s1
InChI Key:
JGDCRWYOMWSTFC-AZGSIFHYSA-N
SMILES:
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2[C@H](O)C(=O)[C@]2([C@]1(O)CC[C@@H]2c1ccc(=O)oc1)C)C
Properties
Complexity:
847  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
416.22g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
416.514g/mol
Monoisotopic Mass:
416.22g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Arenobufagin, a bufadienolide compound from toad venom, inhibits VEGF-mediated angiogenesis through suppression of VEGFR-2 signaling pathway. Biochemical pharmacology 20120501
[Analysis on competitive interaction between arenobufagin and verapamil hydrochloride with serum albumin]. Zhong xi yi jie he xue bao = Journal of Chinese integrative medicine 20110701
[Anti-angiogenetic effect of arenobufagin in vitro and in vivo]. Yao xue xue bao = Acta pharmaceutica Sinica 20110501
Properties