Jesaconine

Catalog Number	ACM509206
CAS Number	509-20-6
Structure
Synonyms	Aconine
Molecular Weight	499.6
InChI	InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11-,12-,13+,14-,15+,16+,17-,18,19-,20+,21+,22+,23-,24+,25-/m1/s1
InChI Key	SQMGCPHFHQGPIF-JIOYIOPFSA-N
Melting Point	129-131 °C
Purity	95%+
Complexity	878
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	14
Exact Mass	499.27813189
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	5
Isomeric SMILES	CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC
Monoisotopic Mass	499.27813189
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	141 Ų

Custom Q&A

What is the chemical formula of ACONINE?

The chemical formula of ACONINE is C25H41NO9.

What is the melting point of ACONINE?

The melting point of ACONINE is 129-131°C.

What is the toxicity of ACONINE in mice when administered intravenously?

ACONINE is toxic to mice when administered intravenously at a dose of 120 mg/kg.

How does ACONINE inhibit osteoclast differentiation?

ACONINE inhibits osteoclast differentiation of RANKL-stimulated RAW 264.7 cells.

What is the LD50 value of ACONINE in rats?

The LD50 value of ACONINE in rats is 1.7 μmol per animal.

What is the role of ACONINE in the human body?

ACONINE has a role as a plant metabolite, a human urinary metabolite, a NF-kappaB inhibitor, and a xenobiotic.

What is the primary use of ACONINE?

ACONINE is a derivative of Aconitine and is used as a neurotoxin to block the nerve action potential.

What is the pKa value of ACONINE at 25°C?

The pKa value of ACONINE at 25°C is 9.52.

How does ACONINE affect NF-κB and NFATc1 activation in cells?

ACONINE inhibits RANKL-induced activation of NF-κB and NFATc1 in RAW 264.7 cells.

In what form is ACONINE commonly found?

ACONINE is commonly found in solid form, appearing as off-white to pale yellow in color.

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