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KYN-101

CAT: 1410-M36421-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M36421-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KYN-101 is an orally active and selective aryl hydrocarbon receptor (AHR) inhibitor with anticancer activity. KYN-101 decreases CYP1A1 mRNA expression and can be used in the study of breast cancer and acute myeloid leukemia. KYN-101 is an orally active and selective aryl hydrocarbon receptor (AHR) inhibitor with anticancer activity.
CAS Number
2247950-73-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
386.43
Molecular Formula
C22H19FN6
Notes
Research use only, not for human use.
Receptor
AhR

Chemical Information

N-(2-(1H-indol-3-yl)ethyl)-5-(5-fluoropyridin-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CAS Number2247950-73-6
PubChem CID135376305
IUPAC Name5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
Molecular FormulaC22H19FN6
Molecular Weight386.4
XLogP3.8
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity549
SMILES
CC1=C2N=C(C=C(N2N=C1)NCCC3=CNC4=CC=CC=C43)C5=CC(=CN=C5)F
InChI
InChI=1S/C22H19FN6/c1-14-10-27-29-21(9-20(28-22(14)29)16-8-17(23)13-24-11-16)25-7-6-15-12-26-19-5-3-2-4-18(15)19/h2-5,8-13,25-26H,6-7H2,1H3
InChIKey
XIBYMKUWLQLNLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(1H-indol-3-yl)ethyl)-5-(5-fluoropyridin-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CAS: 2247950-73-6
CID: 135376305
Formula: C22H19FN6
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass386.16552279
Monoisotopic Mass386.16552279
Topological Polar Surface Area70.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity549
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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