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Chemical structure of Teglarinad chloride

GC61622

Teglarinad chloride

Also known as [4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl carbonate chloride

Teglarinad chloride (GMX1777) is a prodrug of GMX1778 (a nicotinamide phosphoribosyl transferase inhibitor)· Teglarinad chloride exhibits antitumor activity in mice can be attributed to inhibition of NAMPT· Teglarinad chloride also enhances radiation efficacy, mediated by interference with DNA repair and antiangiogenesis

ChemicalCAS432037-57-5MW672.6FormulaC30H43Cl2N5O8
CAS number
432037-57-5
Molecular weight
672.6
Formula
C30H43Cl2N5O8
Solubility
DMSO: 200 mg/mL (297·35 mM)
InChIKey
DAHMXVAETAAQOZ-UHFFFAOYSA-N
Catalogue number
GC61622
Brand
GLPBIO
Computed properties PubChem CID 9961434 · TPSA 146 Ų · H-bond donors 2 · H-bond acceptors 11
TPSA
146 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
27
Heavy atoms
45

SMILES COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N.[Cl-]

Computed descriptors from PubChem (CID 9961434), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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