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DPC 684

CAT: 0931-T211711-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T211711-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
284661-73-0
Target
HIV Protease
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Bioactivity
DPC 684 is a potent and selective HIV-1 protease inhibitor with an IC90 of 5.7-40 nM and a Ki of 0.021 nM. It competitively inhibits HIV-1 protease, preventing viral polyprotein cleavage. Compared to cellular proteases, DPC 684 shows high selectivity for retroviral proteases. The compound exhibits low protein binding and offers broad-spectrum inhibition against various wild-type and mutant HIV-1 proteases, with an IC90 of 1.9-6.3 nM. DPC 684 is significant for HIV research.
Smiles
[C@@H]([C@@H](CN(S(=O)(=O)C1=CC=C(N)C=C1)CC(C)C)O)(CC2=CC=CC=C2)NC([C@@H](NC(CNCC3=CC(F)=CC=C3)=O)[C@](C)(C)C)=O
Molecular Formula
C35H48FN5O5S
Molecular Weight
669.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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