MDL 28170 - CAS 88191-84-8

Name: MDL 28170
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038778
Product Name:	MDL 28170
CAS:	88191-84-8
Synonyms:	benzyl N-[(2S)-3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]carbamate

Technical Data

IUPAC Name:	benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]carbamate
Description:	MDL 28170 is a calpain and cathepsin B inhibitor with Ki values of 10 and 25 nM respectively. It shows neuroprotective effects in vivo. MDL 28170 can attenuate depression in myocardial contractile performance which occurs during reperfusion following cardiac ischemia.
Molecular Weight:	382.45
Molecular Formula:	C22H26N2O4
Canonical SMILES:	CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1
InChI Key:	NGBKFLTYGSREKK-ANYOKISRSA-N
Boiling Point:	595.6 °C at 760 mmHg
Purity:	≥ 95 % by HPLC
Density:	1.153 g/cm³
Solubility:	Soluble in DMSO (26 mg/mL)
Appearance:	White lyophilized solid
Storage:	Store at -20 °C
LogP:	3.64560
Sequence:	Cbz-Val-Phe-al

Publication Number	Title	Priority Date
WO-2021211808-A1	Compositions and methods to reduce the infectivity of a virus	20200416
WO-2021072212-A1	Proteasome inhibitors	20191011
WO-2016057041-A1	Compositions and methods for preserving platelet function	20141009
WO-2016037157-A2	Targeting capn9/capns2 activity as a therapeutic strategy for the treatment of myofibroblast differentiation and associated pathologies	20140905
US-10898492-B2	Treating hearing loss	20120907

PMID	Publication Date	Title	Journal
29289695	20180315	Calpain and JNK pathways participate in isoflurane - induced nucleus translocation of apoptosis-inducing factor in the brain of neonatal rats	Toxicology letters
22842515	20121011	Temporal dependence of cysteine protease activation following excitotoxic hippocampal injury	Neuroscience
21254321	20120901	Low-dose methylmercury-induced oxidative stress, cytotoxicity, and tau-hyperphosphorylation in human neuroblastoma (SH-SY5Y) cells	Environmental toxicology
22774935	20120901	Mitochondrial dysfunction is involved in P2X7 receptor-mediated neuronal cell death	Journal of neurochemistry
22895718	20120815	Activity-dependent cleavage of the K-Cl cotransporter KCC2 mediated by calcium-activated protease calpain	The Journal of neuroscience : the official journal of the Society for Neuroscience

Complexity:	497
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	382.18925731
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	382.18925731
Rotatable Bond Count:	10
Topological Polar Surface Area:	84.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7