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CYP17-IN-1

CAT: 0931-T10923-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T10923-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2093317-51-0
Target
Cytochromes P450
Related Pathways
Metabolism
Purity
0.9983
Bioactivity
CYP17-IN-1 is an effective oral inhibitor of CYP17 that can inhibit CYP17 in rats and humans with IC50 of 15.8 and 20.1 nM.
Smiles
FC=1C=C2C3=C(SC2=CC1)CN(CC=4C(C)=CC=NC4)CC3
Molecular Formula
C18H17FN2S
Molecular Weight
312.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyp17-IN-1
CAS Number2093317-51-0
PubChem CID137635843
IUPAC Name6-fluoro-2-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
Molecular FormulaC18H17FN2S
Molecular Weight312.4
XLogP3.7
Topological Polar Surface Area44.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity393
SMILES
CC1=C(C=NC=C1)CN2CCC3=C(C2)SC4=C3C=C(C=C4)F
InChI
InChI=1S/C18H17FN2S/c1-12-4-6-20-9-13(12)10-21-7-5-15-16-8-14(19)2-3-17(16)22-18(15)11-21/h2-4,6,8-9H,5,7,10-11H2,1H3
InChIKey
ATNGVPCHSCNOMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyp17-IN-1
CAS: 2093317-51-0
CID: 137635843
Formula: C18H17FN2S
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass312.10964789
Monoisotopic Mass312.10964789
Topological Polar Surface Area44.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity393
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

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Alternative Products

CatalogName
HY-101516CYP17-IN-1
A12622-2CYP17-IN-1 2mg
A12622-1CYP17-IN-1 1mg
A12622-50CYP17-IN-1 50mg
A12622-25CYP17-IN-1 25mg
A12622-10CYP17-IN-1 10mg
A12622-5CYP17-IN-1 5mg
GTR18224483CYP17/CYP17A1 Antibody
508520CYP17A1 (CYP17, S17AH) discontinued
APG02867GPolyclonal CYP17 / CYP17A1 Antibody (Internal)

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