Crotonoside

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Catalog Number
ACM1818719
Product Name
Crotonoside
Structure
Structure
CAS
1818-71-9
Category
Inhibitors
Description
Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML.
Synonyms
1,2-Dihydro-2-oxoadenosine
Molecular Weight
283.24
InChI
InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
InChI Key
MIKUYHXYGGJMLM-UUOKFMHZSA-N
Melting Point
237-241 °C
Complexity
544
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Exact Mass
283.09166853
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
5
Isomeric SMILES
C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
Monoisotopic Mass
283.09166853
Physical State
Powder
Rotatable Bond Count
2
Topological Polar Surface Area
153 Ų
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