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DMP 777

CAT: 0931-T15144-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T15144-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
157341-41-8
Target
Others, Serine Protease
Related Pathways
Others, Proteases/Proteasome
Bioactivity
DMP 777 is an orally active inhibitor of human leukocyte elastase.
Smiles
CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1
Molecular Formula
C31H40N4O6
Molecular Weight
564.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dmp 777

DMP-777 is a selective inhibitor of polymorphonuclear leukocyte (PMN) elastase.

CAS Number157341-41-8
PubChem CID177992
IUPAC Name(2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-4-oxoazetidine-1-carboxamide
Molecular FormulaC31H40N4O6
Molecular Weight564.7
XLogP4.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity928
SMILES
CCC[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)N3[C@H](C(C3=O)(CC)CC)OC4=CC=C(C=C4)C(=O)N5CCN(CC5)C
InChI
InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1
InChIKey
ZSDCIRYNTCVTMF-GIGWZHCTSA-N
Chemical Structure
2D Structure
2D structure of Dmp 777
CAS: 157341-41-8
CID: 177992
Formula: C31H40N4O6
MW: 564.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.7
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass564.29478501
Monoisotopic Mass564.29478501
Topological Polar Surface Area101 Ų
Heavy Atom Count41
Formal Charge0
Complexity928
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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