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Chemical structure of MRL-494 hydrochloride

GC62511

MRL-494 hydrochloride

Also known as 3-cyclopropyl-N-(diaminomethylidene)-3-[[4-(diaminomethylideneamino)-6-[[4-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]cyclohexyl]amino]-1,3,5-triazin-2-yl]amino]propanamide;hydrochloride

MRL-494 hydrochloride, an antibacterial agent, is a inhibitor of β-barrel assembly machine A (BamA) impervious to efflux and the outer membrane permeability barrier

ChemicalCAS2699937-04-5MW659.12FormulaC26H36ClFN16O2
CAS number
2699937-04-5
Molecular weight
659.12
Formula
C26H36ClFN16O2
Solubility
Water ： 110 mg/mL (166·89 mM; Need ultrasonic)|DMSO ： 100 mg/mL (151·72 mM; Need ultrasonic)
InChIKey
OUQBLPVSJWIYJV-UHFFFAOYSA-N
Catalogue number
GC62511
Brand
GLPBIO
Computed properties PubChem CID 154925628 · TPSA 281 Ų · H-bond donors 8 · H-bond acceptors 12
TPSA
281 Ų
H-bond donors
8
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
46

SMILES C1CC1C(CC(=O)N=C(N)N)NC2=NC(=NC(=N2)NC3CCC(CC3)NC(=O)CN4N=C(N=N4)C5=CC=C(C=C5)F)N=C(N)N.Cl

Computed descriptors from PubChem (CID 154925628), 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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Pricing
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Documents
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