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Chemical structure of SSR240612

GC19339

SSR240612

Also known as (2R)-2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-[(6-methoxynaphthalen-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide;hydrochloride

SSR240612 is a new, potent, and orally active specific non-peptide bradykinin B1 receptor antagonist, which inhibited Lys0-desAr9-BK (10nM)-induced inositol monophosphate formation in human fibroblast MRC5, with an IC50 of 1·9nM

ChemicalCAS464930-42-5MW793.41FormulaC42H53ClN4O7S
CAS number
464930-42-5
Molecular weight
793.41
Formula
C42H53ClN4O7S
Solubility
DMSO ： ≥ 106·6 mg/mL (134·36 mM)
InChIKey
GLHHFOSVBQQNAW-GDYXXZBVSA-N
Catalogue number
GC19339
Brand
GLPBIO
Computed properties PubChem CID 44235958 · TPSA 135 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
135 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
55

SMILES C[C@@H]1CCC[C@@H](N1CC2=CC=C(C=C2)C[C@H](C(=O)N(C)C(C)C)NC(=O)C[C@H](C3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC)C.Cl

Computed descriptors from PubChem (CID 44235958), 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
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.