Tki258
Also known as TKI 258, Dovitinib lactate, Dovitinib Lactate Hydrate
Key facts
What buyers check first
- CAS number
- 915769-50-5
- Formula
- C24H29FN6O5
- Molar mass
- 500.53 g/mol
- EC number
- 691-732-5
- HS code
- 293359
- Category
- Screening compounds
What is Tki258?
Plain description, key identifiers and synonyms
Dovitinib Lactate is the orally bioavailable lactate salt of a benzimidazole-quinolinone compound with potential antineoplastic activity. Dovitinib strongly binds to fibroblast growth factor receptor 3 (FGFR3) and inhibits its phosphorylation, which may result in the inhibition of tumor cell proliferation and the induction of tumor cell death. In addition, this agent may inhibit other members of the RTK superfamily, including the vascular endothelial growth factor receptor, fibroblast growth factor receptor 1, platelet-derived growth factor receptor type 3, FMS-like tyrosine kinase 3, stem cell factor receptor (c-KIT), and colony-stimulating factor receptor 1, this may result in an additional reduction in cellular proliferation and angiogenesis, and the induction of tumor cell apoptosis. The activation of FGFR3 is associated with cell proliferation and survival in certain cancer cell types.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one, 2-hydroxypropanoic acid, hydrate
- CAS number
- 915769-50-5
- EC number
- 691-732-5
- Molecular formula
- C24H29FN6O5
- UNII
- 69VKY8P7EA
- InChIKey
- QDPVYZNVVQQULH-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2
- SMILES (canonical and isomeric)
- CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N.O
Synonyms
- TKI 258
- Dovitinib lactate
- Dovitinib Lactate Hydrate
- 4-Amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)quinolin-2(1H)-one 2-hydroxypropanoate hydrate
- Chir 258
- Tki258 (hydrate)
- Chir-258 (hydrate)
- Dovitinib (lactate hydrate)
- Dovitinib lactate (USAN)
- Dovitinib lactate hydrate (JAN)
- Dovitinib lactate monohydrate
- 4-Amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl)quinolin-2(1H)-one mono 2-hydroxypropanoate hydrate
- 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one, 2-hydroxypropanoic acid, hydrate
- 4-Amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one mono 2-hydroxypropanoate hydrate
- Dovitinib lactate(TKI258)
- Dovitinib (TKI258) Lactate?
- (+/-)-Dovitinib lactate
- Dovitinib lactate, (+/-)-
- Dovitinib (TKI258) Lactate monohydrate
- (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one, 2-hydroxypropanoic acid, hydrate
- (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one, 2-hydroxypropanoic acid, hydrate
- 4-Amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-2(1H)-quinolinone 2-hydroxypropanoate hydrate (1 :1 :1)
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 500.53 g/molcalc.Computed value |
|---|---|
| Exact mass | 500.2183 Dacalc.Computed value |
| LogP (octanol/water) | 1.17calc.Computed value |
| Topological polar surface area | 183.1 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 5calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 36calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.29calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Components | 3calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=c1[nH]c2ccccc2cc1-c1nc2ccc(N3CCNCC3)cc2[nH]1
5 rings, 26 atoms.
8 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H340May cause genetic defects.
- H341Suspected of causing genetic defects.
- H351Suspected of causing cancer.
- H361Suspected of damaging fertility or the unborn child.
- H372Causes damage to organs through prolonged or repeated exposure.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (13)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P318If exposed or concerned, get medical advice.
- P319Get medical help if you feel unwell.
- P330Rinse mouth.
- P391Collect spillage.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidTki258 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Price on request
- China, ShanghaiUnclaimed profileTki258Grade, purity and minimum order on requestPrice on request
- China, WuhanUnclaimed profileTki258Grade, purity and minimum order on requestPrice on request
- Japan, TokyoUnclaimed profileTki258Grade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileTki258Grade, purity and minimum order on requestPrice on request
- United States, HopkintonUnclaimed profileTki258Grade, purity and minimum order on requestPrice on request
- China, ChangshaUnclaimed profileTki258Grade, purity and minimum order on requestPrice on request
- United States, ElginUnclaimed profileTki258Grade, purity and minimum order on requestPrice on request
- Price on request
- United States, HoustonUnclaimed profileTki258Grade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
10 suppliers in 3 countries
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Tki258 price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- antineoplastic agent
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Tki258 is traded under.
Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other
- Ireland43.6%
- Switzerland * partner reported26.3%
- China7.9%
- Slovenia30.3%
- United States30.1%
- Germany15.3%
* Partner reported figures, a lower bound.
The HS code shown for Tki258 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Tki258, based on the data on this page
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What is the molecular formula and weight of Tki258?
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Guides for buyers
Practical guides that help when you source, ship or handle Tki258
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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