HIV-1 integrase inhibitor 2

Category	HIV Integrase
CAS	957890-42-5
Description	HIV-1 integrase inhibitor 2 is useful for anti-HIV, which can target HIV-1 integrase and depress the activity in the treatment of HIV infection, AIDS, and other similar diseases characterized by integration of a retroviral genome into a host chromosome. It did not affect integrase-DNA binding and only weakly inhibited the catalytic activities of integrase.

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Synonyms	CX04328; CX-04328; CX 04328; 3-Quinolineacetic acid, 6-chloro-2-methyl-4-phenyl-a-propyl-
Molecular Weight	353.84
Molecular Formula	C21H20ClNO2
Canonical SMILES	CCCC(C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C)C(=O)O
InChI	InChI=1S/C21H20ClNO2/c1-3-7-16(21(24)25)19-13(2)23-18-11-10-15(22)12-17(18)20(19)14-8-5-4-6-9-14/h4-6,8-12,16H,3,7H2,1-2H3,(H,24,25)
InChIKey	XRPUJSGGRFQZPJ-UHFFFAOYSA-N
Purity	>98%
Solubility	In Vitro: DMSO : ≥ 100 mg/mL(282.61 mM) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (7.07 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (7.07 mM); Clear solution
Appearance	Light yellow to yellow (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	451
Exact Mass	353.1182566
Target	HIV; HIV Integrase
XLogP3-AA	5.8