Products for Research Use Only
RegisterLogin

Ancriviroc

CAT: 0931-T30047-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T30047-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
370893-06-4
Target
HIV Protease, CCR
Related Pathways
Immunology/Inflammation, Microbiology/Virology, GPCR/G Protein, Proteases/Proteasome
Purity
0.9989
Bioactivity
Ancriviroc (SCH-351125) is an oxime-piperidine compound with strong antiretroviral activity and an orally bioavailable small molecule chemokine receptor CCR5 antagonist (Kd value 9.27nM) that enters HIV-1 through the CCR5 co-receptor and is used to study HIV-1.
Smiles
CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccn(=O)c1C)c1ccc(Br)cc1
Molecular Formula
C28H37BrN4O3
Molecular Weight
557.533
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ancriviroc

Ancriviroc is a small molecule drug. The usage of the INN stem '-viroc' in the name indicates that Ancriviroc is a CCR5 (Chemokine CC motif receptor 5) receptor antagonist. Ancriviroc has a monoisotopic molecular weight of 556.2 Da.

CAS Number370893-06-4
PubChem CID9574343
IUPAC Name[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
Molecular FormulaC28H37BrN4O3
Molecular Weight557.5
XLogP4.3
Topological Polar Surface Area70.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity756
SMILES
CCO/N=C(/C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)\C4=CC=C(C=C4)Br
InChI
InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+
InChIKey
ZGDKVKUWTCGYOA-URGPHPNLSA-N
Chemical Structure
2D Structure
2D structure of Ancriviroc
CAS: 370893-06-4
CID: 9574343
Formula: C28H37BrN4O3
MW: 557.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight557.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass556.20490
Monoisotopic Mass556.20490
Topological Polar Surface Area70.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5779683Ancriviroc

Popular Products