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DPC 684

CAT: 0804-HY-171835Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-171835Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DPC 684 is a potent and selective HIV-1 protease inhibitor (IC90 = 5.7-40 nM, Ki = 0.021 nM) . DPC 684 competitively inhibits HIV-1 protease and blocks viral polyprotein cleavage. DPC 684 has low protein binding and broad-spectrum inhibition against a variety of wild-type and mutant HIV-1 proteases. DPC 684 has low protein binding and broad-spectrum inhibition (IC90 = 1.9-6.3 nM) . DPC 684 has research significance for HIV[1].
CAS Number
284661-73-0
UNSPSC
12352005
Target
HIV; HIV Protease
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Field of Research
Infection
Smiles
O=S(N(CC(C)C)C[C@@H](O)[C@@H](NC([C@H](C(C)(C)C)NC(CNCC1=CC(F)=CC=C1)=O)=O)CC2=CC=CC=C2)(C3=CC=C(C=C3)N)=O
Molecular Formula
C35H48FN5O5S
Molecular Weight
669.85
References & Citations
[1]R F Kaltenbach 3rd, et al. DPC 681 and DPC 684: potent, selective inhibitors of human immunodeficiency virus protease active against clinically relevant mutant variants. Antimicrob Agents Chemother. 2001 Nov;45 (11) :3021-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HIV-1

Chemical Information

Dpc-684

structure in first source

CAS Number284661-73-0
PubChem CID464031
IUPAC Name(2S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]-3,3-dimethylbutanamide
Molecular FormulaC35H48FN5O5S
Molecular Weight669.9
XLogP4.7
Topological Polar Surface Area162
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count47
Formal Charge0
Complexity1070
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)(C)C)NC(=O)CNCC2=CC(=CC=C2)F)O)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C35H48FN5O5S/c1-24(2)22-41(47(45,46)29-16-14-28(37)15-17-29)23-31(42)30(19-25-10-7-6-8-11-25)39-34(44)33(35(3,4)5)40-32(43)21-38-20-26-12-9-13-27(36)18-26/h6-18,24,30-31,33,38,42H,19-23,37H2,1-5H3,(H,39,44)(H,40,43)/t30-,31+,33+/m0/s1
InChIKey
IXZYCIFRVZKVRJ-RKKDRKJOSA-N
Chemical Structure
2D Structure
2D structure of Dpc-684
CAS: 284661-73-0
CID: 464031
Formula: C35H48FN5O5S
MW: 669.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.9
XLogP34.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass669.33601898
Monoisotopic Mass669.33601898
Topological Polar Surface Area162 Ų
Heavy Atom Count47
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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