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Dovitinib-RIBOTAC

CAT: 0804-HY-139682-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139682-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dovitinib RIBOTAC is an RNA-targeting RIBOTAC degrader that can specifically bind to and degrade pre-miR-21. Dovitinib RIBOTAC can inhibit the metastasis of breast cancer and has anti-tumor activity[1].
CAS Number
2759351-68-1
UNSPSC
12352005
Target
DNA/RNA Synthesis; PPAR; Programmed Cell Death 4 (PDCD4) ; PROTACs
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Immunology/Inflammation; Metabolic Enzyme/Protease; PROTAC; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dovitinib-ribotac.html
Purity
99.31
Solubility
DMSO : 130 mg/mL (ultrasonic)
Smiles
O=C1C(C2=NC3=CC(N4CCN(CCNC(NCCOCCOCCOCCOC5=C(O)C=C(/C=C6C(C(C(OCC)=O)=C(NC7=CC=CC=C7)S/6)=O)C=C5)=O)CC4)=CC=C3N2)=C(N)C8=C(C=CC=C8F)N1
Molecular Formula
C51H56FN9O10S
Molecular Weight
1006.11
References & Citations
[1]Zhang P, et al. Reprogramming of Protein-Targeted Small-Molecule Medicines to RNA by Ribonuclease Recruitment. J Am Chem Soc. 2021 Aug 25;143 (33) :13044-13055.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Dovitinib-RIBOTAC
CAS Number2759351-68-1
PubChem CID163321293
IUPAC Nameethyl (5Z)-5-[[4-[2-[2-[2-[2-[2-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-3-hydroxyphenyl]methylidene]-4-hydroxy-2-phenyliminothiophene-3-carboxylate
Molecular FormulaC51H56FN9O10S
Molecular Weight1006.1
XLogP4.8
Topological Polar Surface Area273
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count23
Heavy Atom Count72
Formal Charge0
Complexity1950
SMILES
CCOC(=O)C1=C(/C(=C/C2=CC(=C(C=C2)OCCOCCOCCOCCNC(=O)NCCN3CCN(CC3)C4=CC5=C(C=C4)N=C(N5)C6=C(C7=C(C=CC=C7F)NC6=O)N)O)/SC1=NC8=CC=CC=C8)O
InChI
InChI=1S/C51H56FN9O10S/c1-2-70-50(65)44-46(63)41(72-49(44)56-33-7-4-3-5-8-33)30-32-11-14-40(39(62)29-32)71-28-27-69-26-25-68-24-23-67-22-16-55-51(66)54-15-17-60-18-20-61(21-19-60)34-12-13-36-38(31-34)58-47(57-36)43-45(53)42-35(52)9-6-10-37(42)59-48(43)64/h3-14,29-31,62-63H,2,15-28H2,1H3,(H,57,58)(H3,53,59,64)(H2,54,55,66)/b41-30-,56-49?
InChIKey
YTBJOOVFCGXASL-MYYQOHSPSA-N
Chemical Structure
2D Structure
2D structure of Dovitinib-RIBOTAC
CAS: 2759351-68-1
CID: 163321293
Formula: C51H56FN9O10S
MW: 1006.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1006.1
XLogP34.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count23
Exact Mass1005.38548835
Monoisotopic Mass1005.38548835
Topological Polar Surface Area273 Ų
Heavy Atom Count72
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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