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TF-505

CAT: 0931-T28956-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28956-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146939-64-2
Target
Others, Reductase
Related Pathways
Others, Endocrinology/Hormones, Metabolism
Bioactivity
TF-505, a steroid 5α-reductase inhibitor, is used potentially for the treatment of benign prostatic hyperplasia.
Smiles
CCC[C@H](Oc1ccc(cc1)C(=O)c1cc(CCCC(O)=O)n2ccccc12)c1ccc(CC(C)C)cc1
Molecular Formula
C33H37NO4
Molecular Weight
511.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

FR-146687

steroid 5alpha-reductase antagonist; structure in first source

CAS Number146939-64-2
PubChem CID9892592
IUPAC Name4-[1-[4-[(1S)-1-[4-(2-methylpropyl)phenyl]butoxy]benzoyl]indolizin-3-yl]butanoic acid
Molecular FormulaC33H37NO4
Molecular Weight511.6
XLogP8.3
Topological Polar Surface Area68
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity737
SMILES
CCC[C@@H](C1=CC=C(C=C1)CC(C)C)OC2=CC=C(C=C2)C(=O)C3=C4C=CC=CN4C(=C3)CCCC(=O)O
InChI
InChI=1S/C33H37NO4/c1-4-8-31(25-14-12-24(13-15-25)21-23(2)3)38-28-18-16-26(17-19-28)33(37)29-22-27(9-7-11-32(35)36)34-20-6-5-10-30(29)34/h5-6,10,12-20,22-23,31H,4,7-9,11,21H2,1-3H3,(H,35,36)/t31-/m0/s1
InChIKey
MVPWJFWMEIXDQW-HKBQPEDESA-N
Chemical Structure
2D Structure
2D structure of FR-146687
CAS: 146939-64-2
CID: 9892592
Formula: C33H37NO4
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass511.27225866
Monoisotopic Mass511.27225866
Topological Polar Surface Area68 Ų
Heavy Atom Count38
Formal Charge0
Complexity737
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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CatalogName
GTR19196337-01TF-505
BA8433-1RU-505
BA7139-1NCT-505
HWC07022-01PAT-505
TRC-G368870-100MGGFT-505
MBS131389AZ-505
HY-D2947CLIP-505
HY-D2933SNAP-505

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