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Chemical structure of Ledipasvir D-tartrate

GC36437

Ledipasvir D-tartrate

Also known as (2S,3S)-2,3-dihydroxybutanedioic acid;methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Ledipasvir D-tartrate is an inhibitor of the hepatitis C virus NS5A, with EC50 values of 34 pM against GT1a and 4 pM against GT1b replicon

ChemicalCAS1502654-87-6MW1039.09FormulaC53H60F2N8O12
CAS number
1502654-87-6
Molecular weight
1039.09
Formula
C53H60F2N8O12
Solubility
DMSO： ≥ 28 mg/mL (26·95 mM)
InChIKey
ZQVLPYMRXLPMDX-KEAIDYLOSA-N
Catalogue number
GC36437
Brand
GLPBIO
Computed properties PubChem CID 78357794 · TPSA 290 Ų · H-bond donors 8 · H-bond acceptors 16
TPSA
290 Ų
H-bond donors
8
H-bond acceptors
16
Rotatable bonds
15
Heavy atoms
75

SMILES CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

Computed descriptors from PubChem (CID 78357794), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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