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RET-IN-13

CAT: 0931-T73248-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T73248-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2684258-54-4
Target
C-RET, Others
Related Pathways
Apoptosis, Others, Tyrosine Kinase/Adaptors
Bioactivity
RET-IN-13, a quinoline-based compound, effectively inhibits the RET kinase, demonstrating IC50 values of 0.5 nM for RET (WT) and 0.9 nM for RET (V804M) . It holds promise for research into tumors and intestinal diseases associated with abnormal RET activation.
Smiles
O(C)C1=CC2=C(C=C1OC)N=CC(=C2)C3=CC=C(CC(NC4=CC(C(F)(F)F)=C(CN5CCN(CC)CC5)C=C4F)=O)C=N3
Molecular Formula
C32H33F4N5O3
Molecular Weight
611.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ret-IN-13
CAS Number2684258-54-4
PubChem CID163322128
IUPAC Name2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoro-5-(trifluoromethyl)phenyl]acetamide
Molecular FormulaC32H33F4N5O3
Molecular Weight611.6
XLogP4.5
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity923
SMILES
CCN1CCN(CC1)CC2=CC(=C(C=C2C(F)(F)F)NC(=O)CC3=CN=C(C=C3)C4=CN=C5C=C(C(=CC5=C4)OC)OC)F
InChI
InChI=1S/C32H33F4N5O3/c1-4-40-7-9-41(10-8-40)19-23-13-25(33)28(15-24(23)32(34,35)36)39-31(42)11-20-5-6-26(37-17-20)22-12-21-14-29(43-2)30(44-3)16-27(21)38-18-22/h5-6,12-18H,4,7-11,19H2,1-3H3,(H,39,42)
InChIKey
ZZWZYEZSFZRFRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ret-IN-13
CAS: 2684258-54-4
CID: 163322128
Formula: C32H33F4N5O3
MW: 611.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight611.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass611.25195258
Monoisotopic Mass611.25195258
Topological Polar Surface Area79.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity923
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
GTR19212278-01RET-IN-13
R1701-17RET protein (RET)
V8277-100UGRET Antibody / c-RET
V8276-100UGC-RET Antibody / RET
030598RET (ret proto-oncogene)
332425-01Ret

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