Products for Research Use Only
RegisterLogin

Kynostatin 272

CAT: 0804-HY-106920Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-106920Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Kynostatin 272 (KNI 272) is a potent HIV protease inhibitor. Kynostatin 272 inhibits the activity of the HIV protease by simulating the substrate transition state of the HIV protease, thus preventing a key step in the replication of the HIV virus. Kynostatin 272 provides an important research foundation for the development of drugs for HIV and AIDS[1][2].
CAS Number
147318-81-8
Product Name Alternative
KNI 272; Kynostatin; NSC 651714
UNSPSC
12352005
Target
HIV Protease
Type
Reference compound
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/kynostatin-272.html
Smiles
O=C(N1[C@@H](CSC1)C(NC(C)(C)C)=O)[C@@H](O)[C@H](CC2=CC=CC=C2)NC([C@H](CSC)NC(COC3=C4C(C=NC=C4)=CC=C3)=O)=O
Molecular Formula
C33H41N5O6S2
Molecular Weight
667.84
References & Citations
[1]Kimura T, et al. Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9- (isoquinolin-5-yloxy) -6-methylsulfanylmethyl-5, 8-dioxo-4, 7-diazanonanoyl]-N-tert-butyl-1, 3-thiazolidine-4-carboxamide[J]. Acta Crystallographica Section B: Structural Science, 2004, 60 (4) : 433-437.|[2]Freedberg D I, et al. Flexibility and function in HIV protease: Dynamics of the HIV-1 protease bound to the asymmetric inhibitor kynostatin 272 (KNI-272) [J]. Journal of the American Chemical Society, 1998, 120 (31) : 7916-7923.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Kynostatin 272

Kynostatin 272 is a peptide.

CAS Number147318-81-8
PubChem CID60927
IUPAC Name(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
Molecular FormulaC33H41N5O6S2
Molecular Weight667.8
XLogP3.2
Topological Polar Surface Area201
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count46
Formal Charge0
Complexity1040
SMILES
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O
InChI
InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1
InChIKey
NJBBLOIWMSYVCQ-VZTVMPNDSA-N
Chemical Structure
2D Structure
2D structure of Kynostatin 272
CAS: 147318-81-8
CID: 60927
Formula: C33H41N5O6S2
MW: 667.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight667.8
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass667.24982639
Monoisotopic Mass667.24982639
Topological Polar Surface Area201 Ų
Heavy Atom Count46
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-163901-01E6-272
HY-101925-01CM-272
HY-100726-01GNE-272
HY-169052Cyy-272
HY-100726RGNE-272 (Standard)
HY-W952895CRBN ligand-272
HY-173473Anticancer agent 272
HY-173192Antibacterial agent 272
HY-155489-01DDO-2728
HY-P991515TQH-2722

Popular Products