200,000+ products from a single source!
sales@angenechem.com
209733-45-9 | 2-Pyrrolidinecarboxamide, N-[3-[[4-(aminoiminomethyl)benzoyl]amino]propyl]-1-[[2,4-dichloro-3-[[(2,4-dimethyl-8-quinolinyl)oxy]methyl]phenyl]sulfonyl]-, (2S)-
CAS No: 209733-45-9 Catalog No: AG002KDA MDL No:
Product Description
Catalog Number:
AG002KDA
Chemical Name:
2-Pyrrolidinecarboxamide, N-[3-[[4-(aminoiminomethyl)benzoyl]amino]propyl]-1-[[2,4-dichloro-3-[[(2,4-dimethyl-8-quinolinyl)oxy]methyl]phenyl]sulfonyl]-, (2S)-
CAS Number:
209733-45-9
Molecular Formula:
C34H36Cl2N6O5S
Molecular Weight:
711.6578
IUPAC Name:
(2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide
InChI:
InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1
InChI Key:
XUHBBTKJWIBQMY-MHZLTWQESA-N
SMILES:
NN=Cc1ccc(cc1)C(=O)NCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2C)Cl
UNII:
CLO4JRD21F
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
710.184g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
711.659g/mol
Monoisotopic Mass:
710.184g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Inhibition of bradykinin B2 receptors before, not after onset of experimental subarachnoid hemorrhage prevents brain edema formation and improves functional outcome. | Critical care medicine 20090701 |
| Anatibant, a selective non-peptide bradykinin B2 receptor antagonist, reduces intracranial hypertension and histopathological damage after experimental traumatic brain injury. | Neuroscience letters 20090424 |
| The BRAIN TRIAL: a randomised, placebo controlled trial of a Bradykinin B2 receptor antagonist (Anatibant) in patients with traumatic brain injury. | Trials 20090101 |
| Response to: The BRAIN TRIAL: a randomised, placebo controlled trial of a Bradykinin B2 receptor antagonist (Anatibant) in patients with traumatic brain injury. | Trials 20090101 |
| Role of kinin B1 and B2 receptors in a rat model of neuropathic pain. | International immunopharmacology 20080201 |
| The bradykinin B2 receptor antagonist icatibant (Hoe 140) blocks aminopeptidase N at micromolar concentrations: off-target alterations of signaling mediated by the bradykinin B1 and angiotensin receptors. | European journal of pharmacology 20061203 |
| Autoradiographic analysis of mouse brain kinin B1 and B2 receptors after closed head trauma and ability of Anatibant mesylate to cross the blood-brain barrier. | Journal of neurotrauma 20060501 |
| Dual antagonists of the bradykinin B1 and B2 receptors based on a postulated common pharmacophore from existing non-peptide antagonists. | Biological chemistry 20060201 |
| A single dose, three-arm, placebo-controlled, phase I study of the bradykinin B2 receptor antagonist Anatibant (LF16-0687Ms) in patients with severe traumatic brain injury. | Journal of neurotrauma 20051201 |
| Kinin and opioid receptors in the paratrigeminal nucleus modulate the somatosensory reflex to rat sciatic nerve stimulation. | Peptides 20050801 |
| The N-terminal of icatibant and bradykinin interact with the same Asp residues in the human B2 receptor. | European journal of pharmacology 20040503 |
| Site-directed mutagenesis at the human B2 receptor and molecular modelling to define the pharmacophore of non-peptide bradykinin receptor antagonists. | Biochemical pharmacology 20040215 |
| LF 16-0687 Ms, a new bradykinin B2 receptor antagonist, improves neurologic outcome but not brain tissue prostaglandin E2 release in a rat model of closed head trauma combined with ethanol intoxication. | The Journal of trauma 20030501 |
| LF 16-0687 Ms, a new bradykinin B2 receptor antagonist, decreases ex vivo brain tissue prostaglandin E2 synthesis after closed head trauma in rats. | Resuscitation 20030201 |
| LF 16-0687 Ms, a bradykinin B2 receptor antagonist, reduces brain edema and improves long-term neurological function recovery after closed head trauma in rats. | Journal of neurotrauma 20020801 |
| Preliminary mutational analysis of the human kinin B2 receptor for nonpeptide antagonist ligands recognition. | Canadian journal of physiology and pharmacology 20020401 |
| Pharmacological profile of LF 16-0687, a new potent non-peptide bradykinin B2 receptor antagonist. | Immunopharmacology 19990901 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.