Fumitremorgin c

Catalog Number	ACM118974020
CAS Number	118974-02-0
Structure
Description	Fumitremorgin C is a potent and selective ABCG2/BRCP inhibitor.
Synonyms	12α-Fumitremorgin C
Molecular Weight	379.5
Molecular Formula	C22H25N3O3
Canonical SMILES	O=C([C@]1([H])CC2=C([C@H](/C=C(C)\C)N13)NC4=C2C=CC(OC)=C4)N5[C@](CCC5)([H])C3=O
InChI	InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1
InChI Key	DBEYVIGIPJSTOR-FHWLQOOXSA-N
Melting Point	259.5-260.5 °C
Purity	95%+
Appearance	Solid
Storage	Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Complexity	703
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	379.18959167
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C
Monoisotopic Mass	379.18959167
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	65.6 Ų

Custom Q&A

What is the chemical formula for Emtricitabine?

The chemical formula for Emtricitabine is C8H10FN3O3S.

What is the pharmacological effect of Emtricitabine?

Emtricitabine is a nucleoside reverse transcriptase inhibitor that competes with the natural substrate deoxycytidine 5'-triphosphate and incorporates into nascent viral DNA, causing early chain termination.

What is the main indication for the use of Emtricitabine?

Emtricitabine is used in combination with other antiviral drugs for treating adult HIV-1 infection and chronic hepatitis B.

How is Emtricitabine administered?

Emtricitabine is administered orally.

What are the common side effects of Emtricitabine?

The most common adverse reactions of Emtricitabine include headache, diarrhea, nausea, and rash.

How is Emtricitabine metabolized in the body?

Emtricitabine is metabolized through oxidation and glucuronidation.

How is Emtricitabine excreted from the body?

Emtricitabine is mainly excreted through the kidneys via glomerular filtration and tubular secretion.

What precautions should be taken when prescribing Emtricitabine to patients with renal insufficiency?

Patients with renal insufficiency should reduce the administered amount of Emtricitabine.

Can Emtricitabine be used in pregnant or lactating women?

Emtricitabine is generally not recommended for pregnant and lactating women unless the benefits outweigh the risks.

What is the mechanism of action of Emtricitabine against HIV-1?

Emtricitabine competitively inhibits the HIV-1 reverse transcriptase by competing with natural 5-phosphate cytosine for penetration into the viral DNA synthesis process, leading to the synthesis of a DNA strand break.

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