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RET-IN-21

CAT: 0804-HY-148742-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148742-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RET-IN-21 (compound 5) is a selective RETV804M inhibitor with the IC50 of 0.02 μM. RET-IN-21 does not inhibit the wild type isoforms of RET or KDR. RET-IN-21 has antitumor activity[1].
CAS Number
2414373-42-3
UNSPSC
12352005
Target
RET
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ret-in-21.html
Purity
97.00
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(N)C1=CC=C(C2=C3N=C(NCC4=CC=NC=C4)C=CN3N=C2)C=C1
Molecular Formula
C19H16N6O
Molecular Weight
344.37
References & Citations
[1]Newton R, et al. Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804M Kinase. ACS Med Chem Lett. 2020 Feb 28;11 (4) :497-505.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-(5-((Pyridin-4-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CAS Number2414373-42-3
PubChem CID154729143
IUPAC Name4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
Molecular FormulaC19H16N6O
Molecular Weight344.4
XLogP1.6
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity475
SMILES
C1=CC(=CC=C1C2=C3N=C(C=CN3N=C2)NCC4=CC=NC=C4)C(=O)N
InChI
InChI=1S/C19H16N6O/c20-18(26)15-3-1-14(2-4-15)16-12-23-25-10-7-17(24-19(16)25)22-11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H2,20,26)(H,22,24)
InChIKey
DICBAYNNPUCOOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(5-((Pyridin-4-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CAS: 2414373-42-3
CID: 154729143
Formula: C19H16N6O
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass344.13855916
Monoisotopic Mass344.13855916
Topological Polar Surface Area98.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity475
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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