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Fipravirimat

CAT: 0931-T70147-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70147-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1818867-24-1
Target
HIV Protease, Others
Related Pathways
Others, Microbiology/Virology, Proteases/Proteasome
Bioactivity
Fipravirimat is a potent inhibitor of HIV-1 with potential applications in HIV and AIDS research.
Smiles
N(CCN1CCS(=O)(=O)CC1)[C@]23[C@@]([C@@]4([C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)C(=CC6)C=7CC[C@@](C(O)=O)(CF)CC7)[H])[H])[H])([C@H](C(C)=C)CC3)[H]
Molecular Formula
C43H67FN2O4S
Molecular Weight
727.07
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fipravirimat

Fipravirimat is a small molecule drug. The usage of the INN stem '-virimat' in the name indicates that Fipravirimat is a antiviral, disruptor of viral maturation. Fipravirimat is under investigation in clinical trial NCT04493216 (A Dose-Range Finding Clinical Trial Study in Human Immunodeficiency Virus (HIV-1) Infected Treatment-Naive Adults). Fipravirimat has a monoisotopic molecular weight of 726.48 Da.

CAS Number1818867-24-1
PubChem CID118435805
IUPAC Name(1R)-4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid
Molecular FormulaC43H67FN2O4S
Molecular Weight727.1
XLogP6.1
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count51
Formal Charge0
Complexity1580
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=C(C5(C)C)C6=CC[C@@](CC6)(CF)C(=O)O)C)C)NCCN7CCS(=O)(=O)CC7
InChI
InChI=1S/C43H67FN2O4S/c1-29(2)31-12-19-43(45-22-23-46-24-26-51(49,50)27-25-46)21-20-40(6)33(36(31)43)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-44,18-11-30)37(47)48/h10,13,31,33-36,45H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42+,43-/m0/s1
InChIKey
YFSNREBZTKMFEB-DHGHKPCRSA-N
Chemical Structure
2D Structure
2D structure of Fipravirimat
CAS: 1818867-24-1
CID: 118435805
Formula: C43H67FN2O4S
MW: 727.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight727.1
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass726.48055796
Monoisotopic Mass726.48055796
Topological Polar Surface Area95.1 Ų
Heavy Atom Count51
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5812689Fipravirimat
GTR19235366-01Fipravirimat dihydrochloride
HY-145569A-01Fipravirimat (dihydrochloride)

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