Taletrectinib
Also known as DS-6051a, 3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine, 3-(4-((2R)-2-Aminopropoxy)phenyl)-N-((1R)-1-(3-fluorophenyl)ethyl)imidazo(1,2-b)pyridazin-6-amine
Key facts
What buyers check first
- CAS number
- 1505514-27-1
- Formula
- C23H24FN5O
- Molar mass
- 405.48 g/mol
- HS code
- 293399
- Category
- Screening compounds
What is Taletrectinib?
Plain description, key identifiers and synonyms
Taletrectinib is an orally available inhibitor of the receptor tyrosine kinases C-ros oncogene 1 (ROS1) and the neurotrophic tyrosine receptor kinase (NTRK) types 1, 2 and 3, with potential antineoplastic activity. Upon oral administration, taletrectinib binds to and inhibits ROS1 and the NTRK family members. This inhibition leads to a disruption of ROS1- and NTRK-mediated signaling and eventually inhibits the growth of tumor cells that are overexpressing ROS1 and/or NTRKs. ROS1, overexpressed in certain cancer cells, plays a key role in cell growth and survival of cancer cells. NTRK mutations or rearrangements play a key role in cancer progression.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
- CAS number
- 1505514-27-1Other or deprecated CAS: 1505515-69-4
- Molecular formula
- C23H24FN5O
- UNII
- W4141180YD
- InChIKey
- HEVHTYMYEMEBPX-HZPDHXFCSA-N
- InChI
- InChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)/t15-,16-/m1/s1
- Canonical SMILES
- CC(N)COc1ccc(-c2cnc3ccc(NC(C)c4cccc(F)c4)nn23)cc1
- Isomeric SMILES
- C[C@H](COC1=CC=C(C=C1)C2=CN=C3N2N=C(C=C3)N[C@H](C)C4=CC(=CC=C4)F)N
Synonyms
- DS-6051a
- 3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
- 3-(4-((2R)-2-Aminopropoxy)phenyl)-N-((1R)-1-(3-fluorophenyl)ethyl)imidazo(1,2-b)pyridazin-6-amine
- Taletrectinib free base
- Taletrectinib (free base)
- 3-(4-((R)-2-Aminopropoxy)phenyl)-N-((R)-1-(3-fluorophenyl)ethyl)imidazo[1,2-b]pyridazin-6-amine
- Taletrectinib (USAN/INN)
- WHO 11404
- 3-{4-[(2R)-2-aminopropoxy]phenyl}-N-[(1R)-1-(3- fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
- Imidazo[1,2-b]pyridazin-6-amine, 3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]-
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 | 405.48 g/molcalc.Computed value |
|---|---|
| Exact mass | 405.1965 Dacalc.Computed value |
| LogP (octanol/water) | 4.43calc.Computed value |
| Topological polar surface area | 77.47 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 30calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.22calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)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
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Taletrectinib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Taletrectinib can send you quotes. Your contact details stay private until you accept a quote.
Taletrectinib price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Antineoplastic Agents
- Tyrosine Kinase Inhibitors
Roles
- antineoplastic agent
- pharmaceutical
Pharmacology
Taletrectinib is a Kinase Inhibitor. The mechanism of action of taletrectinib is as a Proto-Oncogene Tyrosine-Protein Kinase ROS1 Inhibitor.
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 Taletrectinib is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Taletrectinib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Taletrectinib, based on the data on this page
What is Taletrectinib?
What is the CAS number of Taletrectinib?
What is the molecular formula and weight of Taletrectinib?
What is Taletrectinib used for?
Is Taletrectinib hazardous?
What is the HS code of Taletrectinib?
Where can I buy Taletrectinib?
What is the price of Taletrectinib?
Guides for buyers
Practical guides that help when you source, ship or handle Taletrectinib
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
Get quotes for Taletrectinib
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Taletrectinib with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/taletrectinib-1505514-27-1" title="Taletrectinib structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Screening compounds or HS code 293399