Azadirachtin B

Category	Influenza Virus
CAS	106500-25-8
Description	Azadirachtin B is a drug analog of azadirachtin which was investigated in agrochemical studies of bioregulators for the antifeedant mode of action of parent molecule against Lepidoptera and locusts.

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Product Information

Synonyms	Deacetylazadirachtinol; Azadirachtinol deacetyl; 3-tigloyl-azadirachtol; 3-Tigloylazadirachtol
IUPAC Name	dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-7,14-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-12-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
Molecular Weight	662.68
Molecular Formula	C33H42O14
Canonical SMILES	CC=C(C)C(=O)OC1CC(C23COC(C2C(C(C4C3C1(CO4)C(=O)OC)O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)C(=O)OC)O
InChI	InChI=1S/C33H42O14/c1-7-14(2)24(36)45-17-11-16(34)30-12-44-20(25(37)40-5)21(30)28(3,23(35)19-22(30)31(17,13-43-19)26(38)41-6)33-18-10-15(29(33,4)47-33)32(39)8-9-42-27(32)46-18/h7-9,15-23,27,34-35,39H,10-13H2,1-6H3/b14-7+/t15-,16+,17-,18+,19-,20+,21+,22-,23-,27+,28+,29+,30-,31+,32+,33+/m1/s1
InChIKey	USRBWQQLHKQWAV-ZGKQVQOISA-N
Boiling Point	780.5±60.0 °C at 760 mmHg
Melting Point	>160°C (dec)
Flash Point	246.6±26.4 °C
Purity	98%
Density	1.5±0.1 g/cm3
Solubility	Soluble in DMSO (Sparingly), Methanol (Slightly)
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C
Complexity	1660
Exact Mass	720.26293531
Index Of Refraction	1.628
In Vitro	Azadirachtin-B showed highest proliferation at 10 nM and 100 pM concentrations in osteoblast cells.
In Vivo	On evaluation of Azadirachtin B (compound 21; oral administration) for its anti-tumor-initiating activity on the two-stage carcinogenesis of mouse skin tumor induced by peroxynitrite (ONOO-; PN) as an initiator and TPA as a promoter, this exhibited marked inhibitory activity.
Target	Plutella xylostella Alkaline phosphatase (ALP) Epstein-Barr virus early antigen (EBV-EA)
Vapor Pressure	0.0±6.1 mmHg at 25°C
XLogP3-AA	-0.6