Nefinavir mesylate hydrate | B2142

Nelfinavir is an orally bioavailable inhibitor of the HIV-1 protease (Ki =2 nM) that is used in combination with HIV reverse transcriptase inhibitors for the treatment of HIV infection. In vivo, nelfinavir selectively inhibited the growth of HER2-positive breast cancer cells.

Nelfinavir is an orally bioavailable inhibitor of the HIV-1 protease (Ki =2 nM) that is used in combination with HIV reverse transcriptase inhibitors for the treatment of HIV infection. In vivo, nelfinavir selectively inhibited the growth of HER2-positive breast cancer cells.

B2142 | Nefinavir mesylate hydrate DataSheet

Alternate Name/Synonyms: 3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide methanesulfonate, AG-1343, Nelfinavir methanesulfonate hydrate

Appearance: White to off-white solid

Formulation: N/A

CAS Number: 159989-65-8

Structure Available?: Yes

Peptide sequence: N/A

Salt Form: No

Molecular Formula: C₃₂H₄₅N₃O₄S · CH₃SO₃H · xH₂O

Molecular Weight: 663.89 (anhydrous basis)

Cell-Permeable?: Yes

Purity: ≥97% by HPLC

Solubilities: DMSO (>2 mg/ml)

Handling: Protect from air and moisture

Country of Origin: USA

Tag Line: A HIV Protease Inhibitor

MDL Number: MFCD00931436

PubChem CID: 64142

SMILES: CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O

InChi: InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1

InChi Key: NQHXCOAXSHGTIA-SKXNDZRYSA-N