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Chemical structure of RWJ-56110 dihydrochloride

GC61777

RWJ-56110 dihydrochloride

Also known as (2S)-4-amino-N-benzyl-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanoyl]amino]butanamide;dihydrochloride

RWJ-56110 dihydrochloride is a potent, selective, peptide-mimetic inhibitor of PAR-1 activation and internalization (binding IC50=0·44 uM) and shows no effect on PAR-2, PAR-3, or PAR-4

ChemicalCAS2387505-58-8MW863.65FormulaC41H45Cl4F2N7O3
CAS number
2387505-58-8
Molecular weight
863.65
Formula
C41H45Cl4F2N7O3
Solubility
DMSO : 200 mg/mL (231·58 mM; Need ultrasonic)
InChIKey
MGZSVSHDIOPSBO-ZEUUMAKDSA-N
Catalogue number
GC61777
Brand
GLPBIO
Computed properties PubChem CID 90488773 · TPSA 134 Ų · H-bond donors 7 · H-bond acceptors 7
TPSA
134 Ų
H-bond donors
7
H-bond acceptors
7
Rotatable bonds
15
Heavy atoms
57

SMILES C1CCN(C1)CC2=CN(C3=C2C=CC(=C3)NC(=O)N[C@@H](CC4=CC(=C(C=C4)F)F)C(=O)N[C@@H](CCN)C(=O)NCC5=CC=CC=C5)CC6=C(C=CC=C6Cl)Cl.Cl.Cl

Computed descriptors from PubChem (CID 90488773), 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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