Products for Research Use Only
RegisterLogin

AKR1C3-IN-4

CAT: 0931-T38684-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T38684-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1284180-11-5
Target
Dehydrogenase, NADPH
Related Pathways
Metabolism
Purity
0.9884
Bioactivity
AKR1C3-IN-4, a potent and selective inhibitor of aldo-keto reductase 1C3 (AKR1C3) with an IC50 of 0.56 μM, shows potential for castrate-resistant prostate cancer (CRPC) research.
Smiles
OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1
Molecular Formula
C14H10F3NO2
Molecular Weight
281.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-((4-(Trifluoromethyl)Phenyl)Amino)Benzoic Acid
CAS Number1284180-11-5
PubChem CID51346826
IUPAC Name3-[4-(trifluoromethyl)anilino]benzoic acid
Molecular FormulaC14H10F3NO2
Molecular Weight281.23
XLogP4.6
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity338
SMILES
C1=CC(=CC(=C1)NC2=CC=C(C=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)
InChIKey
MDZIRNPRVJEHHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((4-(Trifluoromethyl)Phenyl)Amino)Benzoic Acid
CAS: 1284180-11-5
CID: 51346826
Formula: C14H10F3NO2
MW: 281.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.23
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass281.06636305
Monoisotopic Mass281.06636305
Topological Polar Surface Area49.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T67846-01AKR1C3-IN-9
T79433-01AKR1C3-IN-10
T7406-01AKR1C3-IN-1
T64193-01AKR1C3-IN-5
T61790-01AKR1C3-IN-6
T210118-01AKR1C3-IN-13
T208963-01AKR1C3-IN-11
T207149-01AKR1C3-IN-15
T61925-01AKR1C3-IN-7
T61926-01AKR1C3-IN-8

Alternative Products

CatalogName
MBS5785426AKR1C3-IN-4
enz-1131AKR1C3
enz-406AKR1C3, His
BA7088-50AKR1C3-IN-1
BA7161-25AKR1C3-IN-9
HY-155502AKR1C3-IN-10
MBS9413972-01AKR1C3 Antibody
MBS5804618AKR1C3-IN-8
MBS5804617AKR1C3-IN-7

Popular Products