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MUT-A

CAT: 1410-M12273Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M12273Size:1 Each
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Description
MUT-A is a novel potent, HIV-1 Integrase IN-LEDGF allosteric inhibitor, shows potent anti-HIV activity with EC50 of 32 nM and 12 nM for NL4-3 or HxB2 HIV-1 strains, respectively.
CAS Number
1591906-37-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
413.576
Molecular Formula
C24H31NO3S
Notes
Research use only, not for human use.
Receptor
HIV

Chemical Information

(2S)-2-tert-butoxy-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-(4-pyridyl)-3-thienyl]acetic acid
CAS Number1591906-37-4
PubChem CID74221510
IUPAC Name(2S)-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-ylthiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Molecular FormulaC24H31NO3S
Molecular Weight413.6
XLogP5.4
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity618
SMILES
CC1=C(C(=C(S1)C2=CC=NC=C2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C
InChI
InChI=1S/C24H31NO3S/c1-15-18(20(22(26)27)28-23(2,3)4)19(16-7-11-24(5,6)12-8-16)21(29-15)17-9-13-25-14-10-17/h7,9-10,13-14,20H,8,11-12H2,1-6H3,(H,26,27)/t20-/m0/s1
InChIKey
AOGLTJVFULDNHV-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-tert-butoxy-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-(4-pyridyl)-3-thienyl]acetic acid
CAS: 1591906-37-4
CID: 74221510
Formula: C24H31NO3S
MW: 413.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.6
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass413.20246502
Monoisotopic Mass413.20246502
Topological Polar Surface Area87.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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