Tesetaxel
Also known as tesetaxelum, DJ 927,, DJ 927
Key facts
What buyers check first
- CAS number
- 333754-36-2
- Formula
- C46H60FN3O13
- Molar mass
- 881.99 g/mol
- HS code
- 293339
- Category
- Heterocyclic building blocks
What is Tesetaxel?
Plain description, key identifiers and synonyms
Tesetaxel is a semi-synthetic, orally bioavailable taxane derivative with potential antineoplastic and antiangiogenic properties. Tesetaxel binds to and stabilizes tubulin, promoting microtubule assembly and thereby preventing microtubule depolymerization. This may lead to cell cycle arrest and an inhibition of cell proliferation. This agent may also inhibit pro-angiogenic factors such as vascular endothelial growth factor (VEGF). As it represents poor substrate for P-glycoprotein-related drug resistance mechanisms, this agent may be useful for treating multi-drug resistant tumors.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
- CAS number
- 333754-36-2 CAS number cross-checked
- Molecular formula
- C46H60FN3O13
- UNII
- UG97LO5M8Y
- InChIKey
- MODVSQKJJIBWPZ-VLLPJHQWSA-N
- InChI
- InChI=1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1
- Canonical SMILES
- CC(=O)OC12COC1CCC1(C)C3OC(CN(C)C)OC3C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ncccc4F)CC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C
- Isomeric SMILES
- CC1=C2[C@@H]3[C@H]([C@@]4(CC[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)CN(C)C
Synonyms
- tesetaxelum
- DJ 927,
- DJ 927
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 | 881.99 g/molcalc.Computed value |
|---|---|
| Exact mass | 881.411 Dacalc.Computed value |
| LogP (octanol/water) | 4.56calc.Computed value |
| Topological polar surface area | 201.5 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 15calc.Computed value |
| Rotatable bonds | 10calc.Computed value |
| Heavy atoms | 63calc.Computed value |
| Rings | 7calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.63calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 12calc.Computed value |
| Lipinski rule of five | Fails (2 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
O=C(CCc1ccccn1)OC1C=C2CC(C1)C(OC(=O)c1ccccc1)C1C3COC3CCC1C1OCOC21
7 rings, 40 atoms.
No other chemical in our database has this scaffold.
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.
Tesetaxel suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, BeijingUnclaimed profileTesetaxelGrade, 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
1 supplier in 1 country
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Tesetaxel 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
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 Tesetaxel is traded under.
Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…
- Germany14.2%
- United States12.8%
- Brazil10.1%
* Partner reported figures, a lower bound.
The HS code shown for Tesetaxel is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Tesetaxel, based on the data on this page
What is Tesetaxel?
What is the CAS number of Tesetaxel?
What is the molecular formula and weight of Tesetaxel?
What is Tesetaxel used for?
Is Tesetaxel hazardous?
What is the HS code of Tesetaxel?
Where can I buy Tesetaxel?
What is the price of Tesetaxel?
Guides for buyers
Practical guides that help when you source, ship or handle Tesetaxel
- 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
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