Mmpsi

HCID 9840223
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Basic information

CAS
220509-74-0
Standard SMILES
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2
InChIKey
SLQMNVJNDYLJSF-VIFPVBQESA-N
Molecular formula
C14H16N2O5S
Average molar mass
324.35 g/mol
Monoisotopic mass
324.07799261

Names & identifiers

Preferred name
Mmpsi
IUPAC
5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
English name
Caspase-3/7 Inhibitor I
Molecular formula
C14H16N2O5S
Molecular weight
324.35

Names & synonyms

MMPSI220509-74-0Caspase-3/7 Inhibitor ICaspase-3/7 InhibitorIsatin Sulfonamide 165-[(S)-(+)-2-(Methoxymethyl)pyrrolidino]sulfonylisatin5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dioneCHEMBL60190SCHEMBL3681388DTXSID50431688Pyrrolidine,1-[(2,3-dihydro-2,3-dioxo-1H-indol-5-yl)sulfonyl]-2-(MethoxyMethyl)-,(2S)-AKOS040744939
Show more names
abs814634MMPSI, 10 mM in DMSO(S)-Caspase-3/7 Inhibitor IMMPSI, Caspase-3/7 Inhibitor IMMPSI, Caspase-3/7 Inhibitor I, caspase 3 and 7 inhibitor5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-25-[(2S)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]SULFONYL-1H-INDOLE-23-DIONE1H-Indole-2,3-dione, 5-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]sulfonyl]-
HY-103346(S)-5-((2-(Methoxymethyl)pyrrolidin-1-yl)sulfonyl)indoline-2,3-dioneorb1704938SCHEMBL30657493BDBM10305VIA50974MFCD22581511AS-86316

Database identifiers

CAS
220509-74-0
PubChem CID
9840223
DTXSID
DTXSID50431688
ChEMBL
CHEMBL60190
Nikkaji
J1.319.413K

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

Physicochemical properties

Density
1.415 · 1.415±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
solubility
2 O; · insoluble in H2O; ≥16.2 mg/mL in DMSO; ≥2.17 mg/mL in EtOH with gentle warming and ultrasonic
form
solid
pka
8.66 · 8.66±0.20(Predicted)
color
Light yellow to yellow

Safety & regulation

Safety data

wgk
WGK 1
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302-H315-H319
Precautionary statements
P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Chemistry & industry

Applications · 1 item

UsesMMPSI is a potent and selective small molecule caspase 3 and caspase 7 inhibitor with an IC50 of 1.7 μM for human caspase-3. MMPSI can significantly reduce ischemia-reperfusion-induced infarct size in the isolated rabbit heart, and reduce apoptosis in both the ischemic myocardium and isolated cardiomyocytes. MMPSI can be used for researching cardioprotection[1].

Suppliers20 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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