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Omtriptolide

CAS No.:
195883-06-8
Catalog Number:
AG00AMBV
Molecular Formula:
C24H28O9
Molecular Weight:
460.4737
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$265
- +
5mg
98%
1 week
United States
$682
- +
10mg
98%
1 week
United States
$960
- +
25mg
98%
1 week
United States
$1862
- +
Product Description
Catalog Number:
AG00AMBV
Chemical Name:
Omtriptolide
CAS Number:
195883-06-8
Molecular Formula:
C24H28O9
Molecular Weight:
460.4737
MDL Number:
MFCD09954137
IUPAC Name:
4-[[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-8-yl]oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C24H28O9/c1-10(2)22-17(32-22)18-24(33-18)21(3)7-6-11-12(9-29-19(11)28)13(21)8-14-23(24,31-14)20(22)30-16(27)5-4-15(25)26/h10,13-14,17-18,20H,4-9H2,1-3H3,(H,25,26)/t13-,14-,17-,18-,20+,21-,22-,23+,24+/m0/s1
InChI Key:
HROMYAWHLUOUPY-AHCCQAQQSA-N
SMILES:
OC(=O)CCC(=O)O[C@@H]1[C@]2(O[C@H]2[C@H]2[C@@]3([C@@]41O[C@H]4C[C@@H]1[C@]3(C)CCC3=C1COC3=O)O2)C(C)C
UNII:
D36ELM729P
Properties
Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
460.173g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
460.479g/mol
Monoisotopic Mass:
460.173g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Complexation of triptolide and its succinate derivative with cyclodextrins: affinity capillary electrophoresis, isothermal titration calorimetry and 1H NMR studies. Journal of chromatography. A 20111202
A synergistic effect between PG490-88 and tacrolimus prolongs renal allograft survival in monkeys. American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons 20060401
Immunosuppression with a combination of pg490-88 and a subtherapeutic dose of FK506 in a canine renal allograft model. Transplantation 20050615
Protective effects of PG490-88 on chronic allograft rejection by changing intragraft gene expression profiles. Transplantation proceedings 20050501
PG490-88, a new immunosuppressant, effectively prevents acute and chronic rejection in rat renal allografts. Transplantation proceedings 20050101
PG490-88, a derivative of triptolide, causes tumor regression and sensitizes tumors to chemotherapy. Molecular cancer therapeutics 20030901
Properties