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RBP4 inhibitor 1

CAT: 0931-T61300-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61300-01Size:25 mg
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CAS Number
1198180-03-8
Target
Others
Related Pathways
Others
Bioactivity
RBP4 inhibitor 1 (compound 43b) is an orally active and potent inhibitor of retinol-binding protein 4 (RBP4) with IC50 values of 28 nM and 110 nM for human and mouse RBP4, respectively. It effectively reduces blood RBP4 levels in mice, providing a long-lasting effect [1].
Smiles
C(F)(F)(F)C=1C=C(C=C(C(F)(F)F)C1)N2C[C@@H](OCC(O)=O)CC2
Molecular Formula
C14H13F6NO3
Molecular Weight
357.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RBP4 inhibitor 1
CAS Number1198180-03-8
PubChem CID58466003
IUPAC Name2-[(3S)-1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyacetic acid
Molecular FormulaC14H13F6NO3
Molecular Weight357.25
XLogP3.5
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity431
SMILES
C1CN(C[C@H]1OCC(=O)O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H13F6NO3/c15-13(16,17)8-3-9(14(18,19)20)5-10(4-8)21-2-1-11(6-21)24-7-12(22)23/h3-5,11H,1-2,6-7H2,(H,22,23)/t11-/m0/s1
InChIKey
ISWIGCDQVGGYGK-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of RBP4 inhibitor 1
CAS: 1198180-03-8
CID: 58466003
Formula: C14H13F6NO3
MW: 357.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight357.25
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass357.07996225
Monoisotopic Mass357.07996225
Topological Polar Surface Area49.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity431
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