Basic information
- CAS
157341-41-8- Standard SMILES
CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2- InChIKey
ZSDCIRYNTCVTMF-GIGWZHCTSA-N- Molecular formula
- C31H40N4O6
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.29478501
Overview
DMP-777 is a selective inhibitor of polymorphonuclear leukocyte (PMN) elastase.
Names & identifiers
- Preferred name
- Dmp 777
- IUPAC
- (2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-4-oxoazetidine-1-carboxamide
- English name
- DMP 777
- Molecular formula
- C31H40N4O6
- Molecular weight
- 564.67
Names & synonyms
157341-41-8DMP 777DMP-777DMP777L-694458L 6944583Q0469283PDTXSID001662511-Azetidinecarboxamide, N-((1R)-1-(1,3-benzodioxol-5-yl)butyl)-3,3-diethyl-2-(4-((4-methyl-1-piperazinyl)carbonyl)phenoxy)-4-oxo-, (2S)-1-Azetidinecarboxamide, N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-, (2S)-N-(1-(1,3-benzodioxol-5-yl)butyl)-3,3-diethyl-2-(4-((4-methyl-1-piperazinyl)carbonyl)phenoxy)-4-oxo-1-azetidinecarboxamideRefChem:135327
Show more names
(S)-N-((R)-1-(Benzo[d][1,3]dioxol-5-yl)butyl)-3,3-diethyl-2-(4-(4methyl-piperazine-1-carbonyl)(S)-N-((R)-1-(Benzo[d][1,3]dioxol-5-yl)butyl)-3,3-diethyl-2-(4-(4methyl-piperazine-1-carbonyl)phe(S)-N-((R)-1-(Benzo[d][1,3]dioxol-5-yl)butyl)-3,3-diethyl-2-(4-(4-Methylpiperazine-1-carbonyl)phenoxy)-4-oxoazetidine-1-carboxaMide1-AzetidinecarboxaMide,N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-[(4-Methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-,(2S)-(S)-N-((R)-1-(Benzo[d][1,3]dioxol-5-yl)butyl)-3,3-diethyl-2-(4-(4methyl-piperazine-1-carbonyl)phenoxy)-4-oxoazetidine-1-carboxamide (3.5% w/w solution)
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 928
Physicochemical properties
- Density
- 1.227 · 1.227
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 38.33 mg/mL · DMSO : 38.33 mg/mL (67.88 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
- form
- Powder
- pka
- 7.04 · pKa 7.04(H2O tundened Iundened) (Uncertain)
- color
- White to yellow
- FDA UNII
- 3 Q0469283P · 3Q0469283P
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesDMP 777 is a potent, selective, and orally active human leukocyte elastase (HLE) inhibitor.
Suppliers30 total
Aladdin Scientific[email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海迪外化工科技有限公司021-61551100
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…