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Cyclophilin inhibitor 3

CAT: 0013-GTR19184484-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184484-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cyclophilin inhibitor 3 (compound 7c) is a potent small molecule targeting cyclophilin A (CypA), demonstrating anti-HCV activity with an EC50 of 4.2 μM. This inhibitor is a valuable research tool for studying cyclophilin-dependent viral replication mechanisms in both cellular and biochemical assays.
CAS Number
1676100-30-3
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Smiles
C (N (C (CC=1C=2C (NC1) =CC=CC2) =O) CCC3=CC (OC) =C (OC) C=C3) (C (NC4CCCCC4) =O) C5=CC=C (N (=O) =O) C=C5
Molecular Formula
C34H38N4O6
Molecular Weight
598.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclophilin inhibitor 3
CAS Number1676100-30-3
PubChem CID122437408
IUPAC NameN-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-nitrophenyl)acetamide
Molecular FormulaC34H38N4O6
Molecular Weight598.7
XLogP6
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity947
SMILES
COC1=C(C=C(C=C1)CCN(C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3CCCCC3)C(=O)CC4=CNC5=CC=CC=C54)OC
InChI
InChI=1S/C34H38N4O6/c1-43-30-17-12-23(20-31(30)44-2)18-19-37(32(39)21-25-22-35-29-11-7-6-10-28(25)29)33(24-13-15-27(16-14-24)38(41)42)34(40)36-26-8-4-3-5-9-26/h6-7,10-17,20,22,26,33,35H,3-5,8-9,18-19,21H2,1-2H3,(H,36,40)
InChIKey
XRXWUGUEANTSOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclophilin inhibitor 3
CAS: 1676100-30-3
CID: 122437408
Formula: C34H38N4O6
MW: 598.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.7
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass598.27913494
Monoisotopic Mass598.27913494
Topological Polar Surface Area129 Ų
Heavy Atom Count44
Formal Charge0
Complexity947
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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