Securinine

Catalog Number	ACM5610402-1
CAS Number	5610-40-2
Description	Securinine is a plant alkaloid that is structurally similar to the antibiotic rifampicin. Securinine inhibits bacterial growth by binding to RNA polymerase and preventing transcription and replication. The high frequency of human activity has been shown using a patch-clamp technique on human erythrocytes. This active form is metabolized through a number of metabolic transformations, including hydrolysis by esterases or glucuronidases, oxidation by cytochrome P450 enzymes, reduction by glutathione reductase, or conjugation with glucuronic acid. Securinine also specifically binds to markers expressed at high levels in Mycobacterium tuberculosis strains (e.g., ESX-1 secretion system protein) and inhibits cell growth in culture.
Synonyms	(6S,11aR,11bS)-9,10,11,11a-Tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one1,2,3,4,10,10a-Hexahydro-10-hydroxy-6 ,10-methanopyrido [1,2-a]azepine-9(6H),a-acetic Acid ?-Lactone
Molecular Weight	217.26 g/mol
Molecular Formula	C13H15NO2
Canonical SMILES	C1CCN2[C@H](C1)[C@]34C[C@H]2C=CC3=CC(=O)O4
InChI	InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1
InChI Key	SWZMSZQQJRKFBP-WZRBSPASSA-N
Melting Point	140-142 °C
Purity	95%+
Density	1.30±0.1 g/cm³ (20 ºC 760 Torr)
Storage	store at 2℃-8℃
Complexity	426
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	217.110278721
Harmonized Tariff Code	Switzerland: 29349999 - USA: 2934999001 - Slovakia: 2934999090 - UK: 2934999090 - China: 2934999099
Hazard Statements	T,Xn
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1CCN2[C@H](C1)[C@]34C[C@H]2C=CC3=CC(=O)O4
MDL Number	MFCD00063360
Monoisotopic Mass	217.110278721
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	29.5 Ų

Custom Q&A

What is the molecular formula of Securinine?

The molecular formula of Securinine is C13H15NO2.

What is the melting point of Securinine?

The melting point of Securinine is 140-142°C.

What is the boiling point of Securinine?

The boiling point of Securinine is estimated to be 357.82°C.

What is the color of Securinine?

Securinine is yellow in color.

How is Securinine stored?

Securinine should be sealed in dry conditions at 2-8°C.

What is the solubility of Securinine in DMSO?

Securinine is soluble in DMSO at a concentration of ≥25mg/mL.

What is the safety hazard code for Securinine?

The hazard codes for Securinine are T and Xn.

What are the uses of Securinine?

Securinine is extracted from the leaves and roots of certain plants and is known to be a GABAA receptor blocker and CNS stimulant.

What is the chemical property of Securinine?

Securinine is a yellow solid.

Who first reported the synthesis of Securinine and its absolute configuration?

The synthesis and absolute configuration of Securinine was first reported by Bevan et al. in 1964.

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